Information card for entry 1505167

Structure parameters

• Formula: C31 H20 O4
• Calculated formula: C31 H20 O4
• SMILES: O=C(c1c2ccccc2cc2c1cccc2)OCOC(=O)c1c2ccccc2cc2c1cccc2
• Title of publication: Photopolymerization of Organic Molecular Crystal Nanorods
• Authors of publication: Al-Kaysi, Rabih O.; Dillon, Robert J.; Kaiser, J. Michael; Mueller, Leonard J.; Guirado, Gonzalo; Bardeen, Christopher J.
• Journal of publication: Macromolecules
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 9040
• a: 15.31 ± 0.003 Å
• b: 11.863 ± 0.002 Å
• c: 12.988 ± 0.002 Å
• α: 90°
• β: 107.74 ± 0.002°
• γ: 90°
• Cell volume: 2246.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0878
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No