Information card for entry 8101521

Structure parameters

• Formula: C48 H84 N6 O24 P6
• Calculated formula: C48 H72 N6 O24 P6
• SMILES: P(=O)(O)(O)[O-].[NH3+][C@H](C)c1ccccc1
• Title of publication: Crystal structure of R-(+)-1-phenylethylammonium dihydrogenphosphate, C~48~H~84~N~6~O~24~P~6~
• Authors of publication: Shan, Yongkui; Huang, Songping D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 3
• Pages of publication: 391 - 393
• a: 10.1958 ± 0.0006 Å
• b: 22.01 ± 0.001 Å
• c: 15.0067 ± 0.0009 Å
• α: 90°
• β: 108.843 ± 0.001°
• γ: 90°
• Cell volume: 3187.2 ± 0.3 ų
• Cell temperature: 296.7 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0636
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No