Information card for entry 4323415

Structure parameters

• Formula: C11 H22 N O2 P
• Calculated formula: C11 H22 N O2 P
• SMILES: P1(OCC(CO1)(C)C)NC1CCCCC1
• Title of publication: Cyclic Aminophosphites and -phosphoranes Possessing Six- and Higher-Membered Rings: A Comparative Study of Structure and Reactivity
• Authors of publication: Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; K. C. Kumara Swamy
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2044 - 2051
• a: 18.287 ± 0.002 Å
• b: 15.157 ± 0.001 Å
• c: 18.541 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5139.1 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.1033
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No