Information card for entry 7230808

Structure parameters

• Common name: succinic acid
• Chemical name: 1,4-Butanedioic acid
• Formula: C4 H6 O4
• Calculated formula: C4 H6 O4
• Title of publication: Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction
• Authors of publication: Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 28
• Pages of publication: 3971
• a: 5.7015 ± 0.0005 Å
• b: 8.4154 ± 0.0008 Å
• c: 10.3538 ± 0.0008 Å
• α: 90°
• β: 90.374 ± 0.003°
• γ: 90°
• Cell volume: 496.77 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No