Effects of strained bicyclic annelation on the benzene nucleus: The X-ray crystal structures of a triphenylene and two anthracene derivatives

Angewandte Chemie - International Edition

Volumn 35, Issue 3, 1996, Pages 339-341

  Cardullo, Francesca ^a   Giuffrida, Daniele ^a   Kohnke, Franz H ^a   Raymo, Françisco M ^a   Stoddart, J Fraser ^b   Williams, David J ^c  

^a UNIVERSITY OF MESSINA   (Italy)

^b UNIVERSITY OF BIRMINGHAM   (United Kingdom)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Bond length alternation; Mills Nixon effect; Polycycles; Strained rings; Triepoxytriphenylenes

Indexed keywords

CHEMICAL BONDS;

ANTHRACENE DERIVATIVES; AROMATIC RINGS; BOND LENGTH ALTERNATION; MILLS-NIXON EFFECT; POLYCYCLES; STRUCTURAL FEATURE; TRIEPOXYTRIPHENYLENES; X RAY CRYSTAL STRUCTURES;

BOND LENGTH;

EID: 33748216706     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.199603391     Document Type: Article

References (33)

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5. Crystal data for anti-3: monoclinic, a = 13.718(2), b = 8.661(2), c = 11.178(2) Å, ß -102.62(2), V = 1295.9(4) Å3, space group P2/c, Z = 4, μ(CuKα) =7.8 cm-1 ρcalcd = 1.42 g cm-3. Siemens P3/PC diffractometer, ω scans, CuKα radiation (graphite monochromator). The structure was solved by direct methods and the non-hydrogen atoms refined anisotropically to give R = 0.061, Rμ = 0.057 for 1097 independent observed reflections [2θ = 3 116, F > 3σ(|F|)
6. Further details of the crystal structure investigations can be obtained from the Director of the Cambridge Crystallographic Data Centre. 12. Union Road. GB-Cambndge CB21EZ(UK), by quoting the full literature citation
7. Crystal data for anti-lb: monoclinic, a = 8.420(16), b = 7.364(13). < =;0.90(2)Å. ß = 109.7(2). V = 637(2) Å3. space group P2, c. Z = 2. μ(Cu) = 5.1 cm-1. ρcaled = 1.22 g cm-3 Crystal data for unti-lc: monoclinic. a = 4.956(2). b = 15.915(2), c = 7.493(2) Å. ß = 93.36(2)’. I = 590.0(3) Å3, space group P2, a. l = 2. μ(Cu) - 86.4 cm-1, ρcaled = 2.07 g cm-3 Siemens P3 PC diffractometer (for antt-lb). =Nicofct R3m E diffractometer (for anti-lc). ω scans. CuK, radiation (graphite monochromator). The structures were solved by direct methods and the non-hydrogen atoms refined anisotropically. (using absorption corrected data for anti-lc) to give for anti- lb. R = 0.051. R = 0.051 for 597 independent observed reflections 2θ = 3 116. |F > 4σ(|F|) and for anti-lc. R = 0.032. R = 0.041 for 772 independent observed reffections (2θ =3 116. |Fn| > 4σ(|F|). See ref. [2b].
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