Information card for entry 2212729

Structure parameters

• Chemical name: 9-(Bromoacetyl)anthracene
• Formula: C16 H11 Br O
• Calculated formula: C16 H11 Br O
• SMILES: BrCC(=O)c1c2c(cc3ccccc13)cccc2
• Title of publication: 9-(Bromoacetyl)anthracene
• Authors of publication: Kubo, Kanji; Watanabe, Kenichiro; Sakurai, Tadamitsu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1300 - o1301
• a: 9.188 ± 0.002 Å
• b: 8.218 ± 0.002 Å
• c: 16.628 ± 0.004 Å
• α: 90°
• β: 100.583 ± 0.015°
• γ: 90°
• Cell volume: 1234.2 ± 0.5 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes