Information card for entry 4501204

Structure parameters

• Formula: C15 H10 O2
• Calculated formula: C15 H10 O2
• SMILES: c1cccc2c1c(c1ccccc1c2)C(=O)O
• 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: 3.8896 ± 0.0019 Å
• b: 9.384 ± 0.005 Å
• c: 14.852 ± 0.007 Å
• α: 101.784 ± 0.007°
• β: 95.457 ± 0.007°
• γ: 90.22 ± 0.007°
• Cell volume: 528.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No