Information card for entry 2223450

Structure parameters

• Chemical name: 7-Bromo-4-(7-bromo-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1<i>H</i>-xanthen- 9-yl)-3,3-dimethyl-2,3-dihydroxanthen-1(4<i>H</i>)-one ethanol solvate
• Formula: C32 H32 Br2 O5
• Calculated formula: C32 H32 Br2 O5
• SMILES: Brc1cc2C=C3C(=C(C(CC3=O)(C)C)C3c4cc(Br)ccc4OC4=C3C(=O)CC(C4)(C)C)Oc2cc1.OCC
• Title of publication: 7-Bromo-4-(7-bromo-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-9-yl)-3,3-dimethyl-2,3-dihydroxanthen-1(4<i>H</i>)-one ethanol solvate
• Authors of publication: Lian, Chaomei; Lu, Pingping; Zhu, Yulin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2448
• a: 15.016 ± 0.002 Å
• b: 10.2459 ± 0.0014 Å
• c: 18.74 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2883.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes