Information card for entry 4116329

Structure parameters

• Common name: HMPB-N-methylaniline
• Formula: C38 H44 N4 P2
• Calculated formula: C38 H44 N4 P2
• Title of publication: Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides
• Authors of publication: Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 1658 - 1664
• a: 21.199 ± 0.004 Å
• b: 8.1123 ± 0.0007 Å
• c: 20.854 ± 0.003 Å
• α: 90°
• β: 105.51 ± 0.03°
• γ: 90°
• Cell volume: 3455.7 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for significantly intense reflections: 2.43
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No