Information card for entry 2214174

Structure parameters

• Common name: 6-Bromo-2,2-diphenyl-2H-1-benzopyran
• Chemical name: 6-Bromo-2,2-diphenyl-2<i>H</i>-1-benzopyran
• Formula: C21 H15 Br O
• Calculated formula: C21 H15 Br O
• SMILES: c1ccccc1C1(c2ccccc2)Oc2c(C=C1)cc(cc2)Br
• Title of publication: 6-Bromo-2,2-diphenyl-2<i>H</i>-1-benzopyran
• Authors of publication: Shilova, Ekaterina A.; Bougdid, Lahoussine; Pèpe, Gérard; Moustrou, Corinne
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3340 - o3340
• a: 8.9633 ± 0.0004 Å
• b: 9.4284 ± 0.0004 Å
• c: 10.5524 ± 0.0005 Å
• α: 72.461 ± 0.003°
• β: 79.15 ± 0.003°
• γ: 75.594 ± 0.003°
• Cell volume: 817.37 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes