Information card for entry 2224117

Structure parameters

• Chemical name: 9,9-Dimethyl-12-(4-nitrophenyl)-9,10-dihydro-12<i>H</i>- benzo[<i>a</i>]xanthen-11(8<i>H</i>)-one
• Formula: C25 H21 N O4
• Calculated formula: C25 H21 N O4
• SMILES: O1c2ccc3ccccc3c2C(C2=C1CC(CC2=O)(C)C)c1ccc(N(=O)=O)cc1
• Title of publication: 9,9-Dimethyl-12-(4-nitrophenyl)-9,10-dihydro-12<i>H</i>-benzo[<i>a</i>]xanthen-11(8<i>H</i>)-one
• Authors of publication: Li, De-Ling; Wang, Li-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3141
• a: 24.178 ± 0.005 Å
• b: 11.078 ± 0.002 Å
• c: 17.481 ± 0.004 Å
• α: 90°
• β: 119.78 ± 0.03°
• γ: 90°
• Cell volume: 4063.8 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes