Information card for entry 7222030

Structure parameters

• Formula: C30 H37 N O3
• Calculated formula: C30 H36.711 N O3
• Title of publication: Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures
• Authors of publication: Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 40
• Pages of publication: 7693
• a: 6.0554 ± 0.0004 Å
• b: 8.459 ± 0.0004 Å
• c: 25.964 ± 0.006 Å
• α: 89.446 ± 0.009°
• β: 83.899 ± 0.011°
• γ: 76.113 ± 0.005°
• Cell volume: 1283.6 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Cell measurement pressure: 300000 kPa
• Ambient diffracton pressure: 300000 kPa
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2241
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.2639
• Weighted residual factors for all reflections included in the refinement: 0.3392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No