Information card for entry 7111108

Structure parameters

• Chemical name: 2,4,6-tri-tert-butyl-1,3,5-methoxy-1,3,5-triphosphacyclohexane
• Formula: C18 H39 O3 P3
• Calculated formula: C18 H39 O3 P3
• SMILES: P1(OC)C(P(OC)C(P(OC)C1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Unusual addition reactions of lithium alkoxides to 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene
• Authors of publication: Krein, M.; Bergsträßer, U.; Peters, C.; Ruf, S. G.; Regitz, M.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 2015
• a: 9.384 ± 0.002 Å
• b: 24.807 ± 0.005 Å
• c: 10.901 ± 0.002 Å
• α: 90°
• β: 111.9 ± 0.03°
• γ: 90°
• Cell volume: 2354.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.1315
• Weighted residual factors for significantly intense reflections: 0.1223
• Goodness-of-fit parameter for all reflections: 1.279
• Goodness-of-fit parameter for significantly intense reflections: 1.437
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No