Information card for entry 8101835

Structure parameters

• Chemical name: L-tryptophanium phosphite
• Formula: C11 H15 N2 O5 P
• Calculated formula: C11 H15 N2 O5 P
• SMILES: P(=O)(O)[O-].[NH3+][C@H](C(=O)O)Cc1c2c([nH]c1)cccc2
• Title of publication: Crystal structure of L-tryptophanium phosphite, (C~11~H~13~N~2~O~2~) [H~2~PO~3~]
• Authors of publication: M. Ramos Silva; J. A. Paixão; A. Matos Beja
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 487 - 488
• a: 5.5442 ± 0.0006 Å
• b: 8.3603 ± 0.0004 Å
• c: 27.427 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No