Information card for entry 7708203

Structure parameters

• Formula: C41 H31 N O2
• Calculated formula: C41 H31 N O2
• Title of publication: On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis
• Authors of publication: Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 12.1041 ± 0.0005 Å
• b: 16.6818 ± 0.0005 Å
• c: 15.3349 ± 0.0005 Å
• α: 90°
• β: 91.605 ± 0.001°
• γ: 90°
• Cell volume: 3095.18 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No