Information card for entry 2229680

Structure parameters

• Common name: 10-Phenyl-6b,7,8,9,9a,10-hexahydro-6<i>H</i>- cyclopenta[4,5]pyrano[3,2-<i>c</i>]chromen-6,9-dione
• Chemical name: 16-phenyl-8,17-dioxatetracyclo[8.7.0.0^2,7^.0^11,15^]heptadeca- 1(10),2(7),3,5-tetraene-9,14-dione
• Formula: C21 H16 O4
• Calculated formula: C21 H16 O4
• SMILES: O1c2c3c(oc(=O)c2[C@H]2[C@@H]([C@H]1c1ccccc1)C(=O)CC2)cccc3.O1c2c3c(oc(=O)c2[C@@H]2[C@H]([C@@H]1c1ccccc1)C(=O)CC2)cccc3
• Title of publication: 10-Phenyl-6b,7,8,9,9a,10-hexahydro-6<i>H</i>-cyclopenta[4,5]pyrano[3,2-<i>c</i>]chromen-6,9-dione
• Authors of publication: Qiao, Zhen; Liu, Li; Wang, Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o855
• a: 9.1672 ± 0.0014 Å
• b: 8.6538 ± 0.0014 Å
• c: 19.899 ± 0.003 Å
• α: 90°
• β: 91.295 ± 0.003°
• γ: 90°
• Cell volume: 1578.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes