Information card for entry 2104112

Structure parameters

• Formula: C32 H24
• Calculated formula: C32 H24
• SMILES: c1ccc2c(c1)C13CCC43c3c(C5(C2(CC5)c2c1cccc2)c1c4cccc1)cccc3
• Title of publication: Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
• Authors of publication: Trzop, Elżbieta; Turowska-Tyrk, Ilona
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: 375 - 382
• a: 9.8457 ± 0.0013 Å
• b: 12.9974 ± 0.0013 Å
• c: 8.5319 ± 0.0011 Å
• α: 90°
• β: 111.891 ± 0.015°
• γ: 90°
• Cell volume: 1013.1 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0992
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes