Information card for entry 4100806

Structure parameters

• Formula: C13 H24 O4
• Calculated formula: C13 H24 O4
• SMILES: O=C(O)C(CCCCCC(C(=O)O)(C)C)(C)C
• Title of publication: Conformational control in cyclization of hydrogen-bonded supramolecular polymers
• Authors of publication: A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3801 - 3808
• a: 12.488 ± 0.002 Å
• b: 11.018 ± 0.002 Å
• c: 11.207 ± 0.002 Å
• α: 90°
• β: 112.319 ± 0.01°
• γ: 90°
• Cell volume: 1426.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No