Information card for entry 7130827

Structure parameters

• Formula: C30 H45 N2 O2 P
• Calculated formula: C30 H45 N2 O2 P
• Title of publication: Intramolecular C−N Bond Activation by Geometrically Constrained PIII-Centre
• Authors of publication: Bawari, Deependra; Volodarsky , Solomon; Ginzburg, Yael; Jaiswal, Kuldeep; Joshi, Pooja; Dobrovetsky, Roman
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.9369 ± 0.0007 Å
• b: 14.1054 ± 0.0008 Å
• c: 14.7011 ± 0.0008 Å
• α: 86.84 ± 0.003°
• β: 84.371 ± 0.003°
• γ: 88.463 ± 0.003°
• Cell volume: 2871 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1692
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No