Information card for entry 1545381

Structure parameters

• Chemical name: 2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one
• Formula: C26 H14 Br2 O
• Calculated formula: C26 H14 Br2 O
• SMILES: Brc1cc2C3(C(=O)c4ccccc4c4ccccc34)c3c(c2cc1)ccc(Br)c3
• Title of publication: 2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one
• Authors of publication: Chen, Yih-Chun; Watanabe, Motonori; Wen, Yuh-Sheng; Chang, Yuan Jay
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170301
• a: 17.511 ± 0.001 Å
• b: 8.9191 ± 0.0007 Å
• c: 25.2761 ± 0.0015 Å
• α: 90°
• β: 92.179 ± 0.002°
• γ: 90°
• Cell volume: 3944.8 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes