Information card for entry 2006473

Structure parameters

• Formula: C24 H18 O2
• Calculated formula: C24 H18 O2
• SMILES: O(C(=O)[C@]12[C@@H]3c4ccccc4[C@H](c4ccccc14)[C@]23c1ccccc1)C.O(C(=O)[C@@]12[C@H]3c4ccccc4[C@@H](c4ccccc14)[C@@]23c1ccccc1)C
• Title of publication: Methyl 8c-Phenyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate
• Authors of publication: Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1262 - 1263
• a: 15.266 ± 0.002 Å
• b: 16.262 ± 0.003 Å
• c: 14.1071 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3502.2 ± 0.9 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.0569
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 2.22
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No