Information card for entry 2205431

Structure parameters

• Formula: C5 H10 O2
• Calculated formula: C5 H10 O2
• Title of publication: Ethyl propionate at 185K
• Authors of publication: Howard A. Shallard-Brown; David J. Watkin; Andrew R. Cowley
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1118 - o1120
• a: 9.5153 ± 0.0003 Å
• b: 9.5153 ± 0.0003 Å
• c: 6.8933 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 624.13 ± 0.03 ų
• Cell temperature: 185 K
• Ambient diffraction temperature: 185 K
• Number of distinct elements: 3
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes