Information card for entry 7228228

Structure parameters

• Formula: C26 H37 N O3
• Calculated formula: C26 H36.699 N O3
• Title of publication: The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction
• Authors of publication: Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 24.429 ± 0.002 Å
• b: 6.194 ± 0.0006 Å
• c: 16.7949 ± 0.0019 Å
• α: 90°
• β: 93.294 ± 0.009°
• γ: 90°
• Cell volume: 2537.1 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1899
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.2751
• Weighted residual factors for all reflections included in the refinement: 0.3196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No