Information card for entry 2103986

Structure parameters

• Formula: C15 H12
• Calculated formula: C15 H12
• SMILES: c1cccc2cc3ccccc3c(c12)C
• Title of publication: Monitoring structural transformations in crystals. 6. The [4+4] photodimerization of 9-methylanthracene
• Authors of publication: Turowska-Tyrk, Ilona; Trzop, Elżbieta
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: 779 - 786
• a: 8.8859 ± 0.0013 Å
• b: 14.594 ± 0.002 Å
• c: 8.0395 ± 0.0011 Å
• α: 90°
• β: 96.505 ± 0.014°
• γ: 90°
• Cell volume: 1035.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.0819
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes