Information card for entry 2101603

Structure parameters

• Formula: C21 H46 N3 O7 P
• Calculated formula: C21 H46 N3 O7 P
• Title of publication: Structure of tris(cyclohexylammonium) phosphoenolpyruvate monohydrate and crystal chemistry of phosphoenolpyruvates
• Authors of publication: Souhassou, M.; Schaber, P. M.; Blessing, R. H.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 865 - 875
• a: 16.7042 ± 0.0005 Å
• b: 24.4881 ± 0.0006 Å
• c: 6.3891 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2613.49 ± 0.11 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.0391
• Goodness-of-fit parameter for significantly intense reflections: 1.42
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No