Information card for entry 7708200

Structure parameters

• Formula: C54.5 H53 N
• Calculated formula: C54.5 H53 N
• 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: 13.659 ± 0.0009 Å
• b: 14.2712 ± 0.0008 Å
• c: 21.5396 ± 0.0014 Å
• α: 88.277 ± 0.002°
• β: 79.673 ± 0.002°
• γ: 85.386 ± 0.002°
• Cell volume: 4116.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No