Information card for entry 7226923

Structure parameters

• Formula: C19 H18 O
• Calculated formula: C19 H18 O
• Title of publication: Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization
• Authors of publication: Bąkowicz, J.; Turowska-Tyrk, I.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 46
• Pages of publication: 8898
• a: 30.841 ± 0.002 Å
• b: 10.374 ± 0.003 Å
• c: 8.5367 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2731.3 ± 0.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Cell measurement pressure: 700000 kPa
• Ambient diffracton pressure: 700000 kPa
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2251
• Residual factor for significantly intense reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.301
• Weighted residual factors for all reflections included in the refinement: 0.3602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No