Information card for entry 7111331

Structure parameters

• Formula: C44 H38 O4
• Calculated formula: C44 H38 O4
• SMILES: O(c1ccc(C(=Cc2c(cccc2)c2c(cccc2)C=C(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C
• Title of publication: First stable 7,7,8,8-tetraaryl-o-quinodimethane: isolation, X-ray structure, electrochromic response of 9,10-bis(dianisylmethylene)-9,10-dihydrophenanthreneElectronic supplementary information (ESI) available: ORTEP drawings of 12+ and 2. See http://www.rsc.org/suppdata/cc/b4/b405837b/
• Authors of publication: Iwashita, Shinichi; Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Ono, Kazunori; Takenaka, Masami; Suzuki, Takanori
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 18
• Pages of publication: 2076 - 2077
• a: 10.1566 ± 0.0007 Å
• b: 18.671 ± 0.001 Å
• c: 35.302 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6694.5 ± 0.7 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No