Information card for entry 4501205

Structure parameters

• Formula: C15 H9 Br0.05 F0.95 O2
• Calculated formula: C15 H9 Br0.0505 F0.9495 O2
• Title of publication: Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications
• Authors of publication: Zhu, Lingyan; Al-Kaysi, Rabih O.; Dillon, Robert J.; Tham, Fook S.; Bardeen, Christopher J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 4975
• a: 9.2885 ± 0.0014 Å
• b: 3.765 ± 0.0006 Å
• c: 30.373 ± 0.005 Å
• α: 90°
• β: 97.517 ± 0.003°
• γ: 90°
• Cell volume: 1053.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No