Information card for entry 7051032

Structure parameters

• Formula: C13 H26 Cl O3 P
• Calculated formula: C13 H26 Cl O3 P
• SMILES: [Cl-].[P+](C[C@@H]1[C@@H]2CC[C@H](C1(C)C)C2)(CO)(CO)CO.[Cl-].[P+](C[C@H]1[C@H]2CC[C@@H](C1(C)C)C2)(CO)(CO)CO
• Title of publication: Camphene-derived primary and hydroxymethyl phosphines
• Authors of publication: Berrigan, Rebecca A.; Russell, Douglas K.; Henderson, William; Leach, Meto T.; Nicholson, Brian K.; Woodward, Gary; Harris, Christopher
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 322
• a: 16.504 ± 0.007 Å
• b: 7.561 ± 0.005 Å
• c: 12.142 ± 0.003 Å
• α: 90°
• β: 92.54 ± 0.02°
• γ: 90°
• Cell volume: 1513.7 ± 1.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.0936
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No