Information card for entry 2215003

Structure parameters

• Chemical name: 1-Hydroxycyclopropane-1-carboxylic acid
• Formula: C4 H6 O3
• Calculated formula: C4 H6 O3
• SMILES: OC1(C(=O)O)CC1
• Title of publication: 1-Hydroxycyclopropane-1-carboxylic acid
• Authors of publication: Betz, Richard; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3891 - o3891
• a: 9.031 ± 0.0003 Å
• b: 4.725 ± 0.0002 Å
• c: 12.0343 ± 0.0004 Å
• α: 90°
• β: 116.119 ± 0.002°
• γ: 90°
• Cell volume: 461.08 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes