Information card for entry 4323416

Structure parameters

• Formula: C17 H22 Cl4 N O4 P
• Calculated formula: C17 H22 Cl4 N O4 P
• SMILES: P12(Oc3c(c(c(c(c3O1)Cl)Cl)Cl)Cl)(NC1CCCCC1)OCC(C)(C)CO2
• 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: 9.845 ± 0.001 Å
• b: 17.923 ± 0.004 Å
• c: 12.344 ± 0.002 Å
• α: 90°
• β: 107.47 ± 0.01°
• γ: 90°
• Cell volume: 2077.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.0807
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No