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16
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0010911067
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note
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Portions of this work were presented at the 14th International Conference on the Chemistry of the Organic Solid State held in Cambridge, UK, August 1999 and the 3rd International Symposium on Organic Photochromism held in Fukuoka, November 1999. Each paper is to be published in the special volume of Mol. Cryst. Liq. Cryst., as a proceeding.
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17
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0010911891
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note
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At first, the MM2 calculation was carried out with no information of X-ray data to give the results described in text. However, when the X-ray data of Ib (space group, lattice parameters, atomic coordinates, etc.) was taken into account, closer values to the observed data for Ib were obtained. For example, the bond angle around (C5′), i.e., (C4′)-(C5′)-(C8′) was calculated to be 125.3°, which is a slightly larger value than the observed one. We thank a referee for a helpful comment on this point.
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19
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0001375878
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S. Nakatsuji, A. Takai, K. Nishikawa, Y. Morimoto, N. Yasuoka, K. Suzuki, T. Enokin and H. Anzai, J. Chem. Soc., Chem. Commun., 1997, 275
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Nakatsuji, S.1
Takai, A.2
Nishikawa, K.3
Morimoto, Y.4
Yasuoka, N.5
Suzuki, K.6
Enokin, T.7
Anzai, H.8
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20
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0032798960
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S. Nakatsuji, A. Takai, K. Nishikawa, Y. Morimoto, N. Yasuoka, K. Suzuki, T. Enokin and H. Anzai, J. Mater. Chem., 1999, 9, 1747.
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J. Mater. Chem.
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Takai, A.2
Nishikawa, K.3
Morimoto, Y.4
Yasuoka, N.5
Suzuki, K.6
Enokin, T.7
Anzai, H.8
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21
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0010855341
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note
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Other bond angles around the carbon atom (C5′) bearing the substituents are as follows: C8′-C5′-C6′ 124.5(2)°, C8′-C5′-C1′ 131.3(2)°, C1′-C5′-C4′ 104.1(2)°, C1′-C5′-C6′ 89.7(2)°, C4′-C5′-C6′ 58.1(2)°.
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22
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4244150410
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The molecular structures on several quadricyclene derivates have been analysed by X-ray: H. Irngartinger, R. Jahn, H. Rodewald, C. T. Kiers and H. Schenk, Acta Crystallogr., Sect. C, 1986, 42, 847
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(1986)
Acta Crystallogr., Sect. C
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Irngartinger, H.1
Jahn, R.2
Rodewald, H.3
Kiers, C.T.4
Schenk, H.5
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23
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80455175361
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W. H. Watson, I. Tavanaiepour, A. P. Marchand and P. Dave, Acta Crystallogr., Sect. C, 1987, 43, 1356
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(1987)
Acta Crystallogr., Sect. C
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Watson, W.H.1
Tavanaiepour, I.2
Marchand, A.P.3
Dave, P.4
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27
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0010916093
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note
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Although the exact conformations of IVb and Vb are still unknown, the structures of the dyes are assumed to have the s-trans conformations as for normal spiropyran derivatives.
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29
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85088685500
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note
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-1 for S = 1/2 spin and the partial loss of the spins of IVb and Vb is considered to be possibly based on the unstable nature of IVb and Vb in the solid state because a further decrease of their Curie constants was observed by repeated measurement of the same sample after a month.
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