Information card for entry 4103163

Structure parameters

• Formula: C28 H26 O4
• Calculated formula: C28 H26 O4
• SMILES: O(C)c1ccc(cc1)c1c(cc(OC)cc1)c1c(ccc(OC)c1)c1ccc(OC)cc1
• Title of publication: ortho-Phenylenes: Unusual Conjugated Oligomers with a Surprisingly Long Effective Conjugation Length
• Authors of publication: Jian He; Jason L. Crase; Shriya H. Wadumethrige; Khushabu Thakur; Lin Dai; Shouzhong Zou; Rajendra Rathore; C. Scott Hartley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13848 - 13857
• a: 7.52136 ± 0.00006 Å
• b: 14.49051 ± 0.00013 Å
• c: 39.6415 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4320.46 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No