Information card for entry 2104102

Structure parameters

• Formula: C32 H24
• Calculated formula: C32 H24
• SMILES: c1ccc2c(c1)c1CCc3c4c(c(CCc2c2c1cccc2)c1c3cccc1)cccc4
• 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: 10.266 ± 0.002 Å
• b: 12.773 ± 0.002 Å
• c: 8.4459 ± 0.0016 Å
• α: 90°
• β: 112.86 ± 0.02°
• γ: 90°
• Cell volume: 1020.5 ± 0.4 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: 0.0584
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes