Information card for entry 7003356

Structure parameters

• Chemical name: N,N'-Dicyclohexyl-N-diphenylphosphino-acetamidine
• Formula: C26 H35 N2 P
• Calculated formula: C26 H35 N2 P
• SMILES: P(N(/C(=N/C1CCCCC1)C)C1CCCCC1)(c1ccccc1)c1ccccc1
• Title of publication: N-Phosphino-amidines and -guanidines: synthesis, structure and P,N-chelate chemistry
• Authors of publication: Baiget, Lise; Batsanov, Andrei S.; Dyer, Philip W.; Fox, Mark A.; Hanton, Martin J.; Howard, Judith A. K.; Lane, Philip K.; Solomon, Sophia A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 1043 - 1054
• a: 19.45 ± 0.002 Å
• b: 10.63 ± 0.001 Å
• c: 22.218 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4593.6 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No