Information card for entry 7130825

Structure parameters

• Formula: C34 H52 N2 O3 P
• Calculated formula: C34 H52 N2 O3 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: 18.272 ± 0.0006 Å
• b: 16.6838 ± 0.0005 Å
• c: 10.9853 ± 0.0004 Å
• α: 90°
• β: 98.631 ± 0.001°
• γ: 90°
• Cell volume: 3310.9 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No