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[8a,c]), this work comprises either updated (NMR UV/Vis) or new results. Furthermore, their detailed molecular and crystal structure has not been discussed before.
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For the sake of brevity we adopt the abbreviated form of configuration indices, for example [52] instead of the long form [OC-6-52].
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85163238777
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Electronic Supporting Information: C&P and Sundaralingam ring puckering analysis and its parameters are presented in Table S2.
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73
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85163238260
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note
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1 screw axis operates either in a clockwise or anti clockwise manner with the same result. Yet, the path of a helix can be traced if intermolecular hydrogen bonds, O1⋯Hpy, between adjacent molecules in the columns are distinguished (Figure 3).
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85163240936
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note
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Electronic Supporting Information: The geometry of the possible inter- and intramolecular hydrogen bonds, and contact interactions is presented in Table S3.
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75
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85163238943
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Total dipole moments, its orientations were calculated with GAUSSIAN for isolated molecules and yielded: cis-X-[52] 12.65 D (X = Cl), 12.76 D (X = Br), trans-X-[15] 3.18 D (X = Cl), 3.08 D (X = Br), 3.22 D (X = I), respectively.
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