Information card for entry 8105876

Structure parameters

• Formula: C23 H33 O4 P
• Calculated formula: C23 H33 O4 P
• Title of publication: The crystal structure of dimethyl ((3,5-di-tert-butyl-4-hydroxyphenyl)(phenyl)methyl)phosphonate, C23H33O4P
• Authors of publication: Liu, Zhang-Qin; You, Peng-Sheng; Tang, Min; Zhang, Liang-Dong; Liu, Sheng-Shu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 865 - 867
• a: 10.4629 ± 0.0003 Å
• b: 11.4909 ± 0.0005 Å
• c: 19.3341 ± 0.0009 Å
• α: 90°
• β: 98.201 ± 0.004°
• γ: 90°
• Cell volume: 2300.73 ± 0.16 ų
• Cell temperature: 298.4 ± 0.3 K
• Ambient diffraction temperature: 298.4 ± 0.3 K
• Number of distinct elements: 4
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No