Information card for entry 4029987

Structure parameters

• Formula: C23 H34 B N2 P
• Calculated formula: C23 H34 B N2 P
• SMILES: [P]([BH3])(C1=Nc2ccccc2CCc2ccccc2N1)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.
• Authors of publication: Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 20
• Pages of publication: 9878 - 9887
• a: 11.3394 ± 0.0005 Å
• b: 13.9575 ± 0.0007 Å
• c: 14.6789 ± 0.0008 Å
• α: 93.95 ± 0.003°
• β: 90.335 ± 0.002°
• γ: 104.56 ± 0.002°
• Cell volume: 2242.63 ± 0.19 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.904
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No