Information card for entry 4021001

Structure parameters

• Formula: C27 H30 N O P
• Calculated formula: C27 H30 N O P
• SMILES: P(=O)([C@H]1[C@@H]([C@@]2(CC[C@H]1C2(C)C)C)c1ncccc1)(c1ccccc1)c1ccccc1
• Title of publication: t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands
• Authors of publication: Tanasri Bunlaksananusorn; Paul Knochel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4595 - 4601
• a: 9.438 ± 0.002 Å
• b: 12.063 ± 0.0014 Å
• c: 10.701 ± 0.0009 Å
• α: 90°
• β: 103.508 ± 0.013°
• γ: 90°
• Cell volume: 1184.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.097
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No