Information card for entry 7150508

Structure parameters

• Common name: 2-Bromo-7-(10-cyano-9-anthryl)tropone
• Chemical name: 2-Bromo-7-(10-cyano-9-anthryl) cyclohepta-2,4,6-trien-1-one
• Formula: C22 H12 Br N O
• Calculated formula: C22 H12 Br N O
• SMILES: Brc1c(=O)c(cccc1)c1c2ccccc2c(c2ccccc12)C#N
• Title of publication: Photochemical reactions of 2-bromotropone and 2,7-dibromotropone with 9,10-dicyanoanthracene
• Authors of publication: Mori, Akira; Kawakami, Hiroko; Kato, Nobuo; Wu, Shu-Ping; Takeshita, Hitoshi
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 10
• Pages of publication: 1730
• a: 16.772 ± 0.003 Å
• b: 7.698 ± 0.001 Å
• c: 25.944 ± 0.006 Å
• α: 90°
• β: 94.46 ± 0.02°
• γ: 90°
• Cell volume: 3339.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.111
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No