Information card for entry 2205758

Structure parameters

• Common name: felbamate
• Chemical name: 2-Phenyl-1,3-propanediol dicarbamate
• Formula: C11 H14 N2 O4
• Calculated formula: C11 H14 N2 O4
• SMILES: c1(ccccc1)C(COC(=O)N)COC(=O)N
• Title of publication: Felbamate: a carbamate-type anticonvulsant
• Authors of publication: Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1381 - o1383
• a: 8.394 ± 0.003 Å
• b: 5.158 ± 0.002 Å
• c: 26.972 ± 0.006 Å
• α: 90°
• β: 101.47 ± 0.02°
• γ: 90°
• Cell volume: 1144.5 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes