Information card for entry 2101220

Structure parameters

• Formula: C8 H14 O4
• Calculated formula: C8 H14 O4
• SMILES: OC(=O)CCCCCCC(=O)O
• Title of publication: Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data
• Authors of publication: Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 695 - 703
• a: 8.742 ± 0.002 Å
• b: 5.0841 ± 0.0009 Å
• c: 9.85 ± 0.002 Å
• α: 90°
• β: 95.43 ± 0.02°
• γ: 90°
• Cell volume: 435.82 ± 0.15 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.0499 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No