Information card for entry 2010803

Structure parameters

• Formula: C10 H9 N O3
• Calculated formula: C10 H9 N O3
• SMILES: O=C1OC(=O)[C@@H](N1)Cc1ccccc1
• Title of publication: <i>N</i>-Carboxy-<small>L</small>-phenylalanine anhydride
• Authors of publication: Kanazawa, Hitoshi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 469 - 470
• a: 10.881 ± 0.002 Å
• b: 15.753 ± 0.002 Å
• c: 5.4764 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 938.7 ± 0.2 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 4
• 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: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No