Information card for entry 4132575

Structure parameters

• Formula: C43 H45 N2 O4 P
• Calculated formula: C43 H45 N2 O4 P
• SMILES: P1(Oc2c(O1)c1c(c3c2cccc3)cccc1)C(=C1N(c2c(cc(cc2C)C)C)C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)C(C)(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: 9.8219 ± 0.0011 Å
• b: 13.2831 ± 0.0016 Å
• c: 14.8369 ± 0.0018 Å
• α: 99.452 ± 0.004°
• β: 103.114 ± 0.003°
• γ: 95.605 ± 0.004°
• Cell volume: 1841.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No