Information card for entry 7003354

Structure parameters

• Common name: N,N'-Dicyclohexyl-N-diphenylphosphino-4- morpholinecarboxamidine
• Chemical name: N,N'-Dicyclohexyl-N-diphenylphosphino-4-morpholinecarboxamidine
• Formula: C29 H40 N3 O P
• Calculated formula: C29 H40 N3 O P
• SMILES: P(N(/C(=N\C1CCCCC1)N1CCOCC1)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: 10.1116 ± 0.0005 Å
• b: 9.8929 ± 0.0004 Å
• c: 26.4573 ± 0.0012 Å
• α: 90°
• β: 90.047 ± 0.001°
• γ: 90°
• Cell volume: 2646.6 ± 0.2 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: 0.0452
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No