Information card for entry 2103945

Structure parameters

• Formula: C19 H17 Cl O
• Calculated formula: C19 H15.215 Cl O
• Title of publication: Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction
• Authors of publication: Turowska-Tyrk, Ilona
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: 670 - 675
• a: 16.716 ± 0.006 Å
• b: 10.664 ± 0.005 Å
• c: 8.691 ± 0.003 Å
• α: 90°
• β: 103.72 ± 0.04°
• γ: 90°
• Cell volume: 1505 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1339
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes