Information card for entry 2237923

Structure parameters

• Chemical name: 2-Bromo-1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione
• Formula: C19 H17 Br O3
• Calculated formula: C19 H17 Br O3
• Title of publication: 2-Bromo-1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione
• Authors of publication: Fan, Cui-Ping; Yin, Wei-Ping; Cao, Xin-Xiang; Yao, Jing-Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o834
• a: 9.6063 ± 0.0012 Å
• b: 7.0457 ± 0.0009 Å
• c: 11.9688 ± 0.0015 Å
• α: 90°
• β: 96.723 ± 0.001°
• γ: 90°
• Cell volume: 804.52 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes