Information card for entry 1520196

Structure parameters

• Chemical name: Pimelic acid & 2-imidazolidinone
• Formula: C5 H9 N O2.5
• Calculated formula: C5 H9 N O2.5
• Title of publication: pimelic acid 2-imidazolidinone
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 499
• a: 6.8156 ± 0.0006 Å
• b: 12.7537 ± 0.0012 Å
• c: 14.1899 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1233.44 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No