Information card for entry 2224408

Structure parameters

• Chemical name: 3,9-Dimethyl-2,3-dihydrophenanthro[1,2-<i>b</i>]furan-4,5-dione
• Formula: C18 H14 O3
• Calculated formula: C18 H14 O3
• SMILES: O=C1c2c3cccc(c3ccc2C2=C(C1=O)[C@@H](CO2)C)C
• Title of publication: 3,9-Dimethyl-2,3-dihydrophenanthro[1,2-<i>b</i>]furan-4,5-dione
• Authors of publication: Yao, Jing-Cai; Wang, Zhong-Dong; Guo, Jin-Bo; Zhang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3106
• a: 4.6415 ± 0.001 Å
• b: 14.692 ± 0.003 Å
• c: 19.633 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1338.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.1529
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes