Information card for entry 2009525

Structure parameters

• Chemical name: Dimethyl 9-phenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate
• Formula: C26 H20 O4
• Calculated formula: C26 H20 O4
• SMILES: COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1c1cc3ccccc3c(c21)c1ccccc1
• Title of publication: Dimethyl 9-phenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate
• Authors of publication: Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 415 - 417
• a: 8.1 ± 0.002 Å
• b: 31.729 ± 0.005 Å
• c: 7.848 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2017 ± 1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.81
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No