Information card for entry 4132574

Structure parameters

• Formula: C29 H37 N2 O2 P
• Calculated formula: C29 H37 N2 O2 P
• SMILES: P12[C@]3(N4C(N(C(=O)C(C4=O)(C)C)c4c(cc(cc4C)C)C)=C1C(C)(C)C)C(=CC(=C[C@]23C)C)C.P12[C@@]3(N4C(N(C(=O)C(C4=O)(C)C)c4c(cc(cc4C)C)C)=C1C(C)(C)C)C(=CC(=C[C@@]23C)C)C
• Title of publication: A Room-Temperature-Stable Phosphanorcaradiene.
• Authors of publication: Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7466 - 7470
• a: 15.8551 ± 0.0014 Å
• b: 10.844 ± 0.0011 Å
• c: 15.1961 ± 0.0013 Å
• α: 90°
• β: 100.17 ± 0.003°
• γ: 90°
• Cell volume: 2571.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.11
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No