Information card for entry 2240006

Structure parameters

• Chemical name: 9-(4-Bromobutyl)-9<i>H</i>-fluorene-9-carboxylic acid
• Formula: C18 H17 Br O2
• Calculated formula: C18 H17 Br O2
• SMILES: BrCCCCC1(C(=O)O)c2ccccc2c2ccccc12
• Title of publication: Crystal structure of 9-(4-bromobutyl)-9<i>H</i>-fluorene-9-carboxylic acid
• Authors of publication: Zhang, Xu-Yang; Liu, Bing-Ni; Wang, Ping-Bao; Liu, Deng-Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1118 - o1119
• a: 9.897 ± 0.002 Å
• b: 11.8 ± 0.002 Å
• c: 14.202 ± 0.003 Å
• α: 91.59 ± 0.03°
• β: 95.32 ± 0.03°
• γ: 104.7 ± 0.03°
• Cell volume: 1595.1 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes