Information card for entry 4100805

Structure parameters

• Formula: C12 H22 O4
• Calculated formula: C12 H22 O4
• SMILES: C(=O)(C(CCCCC(C(=O)O)(C)C)(C)C)O
• 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: 6.17 ± 0.0009 Å
• b: 9.9686 ± 0.0015 Å
• c: 12.025 ± 0.003 Å
• α: 90°
• β: 118.864 ± 0.016°
• γ: 90°
• Cell volume: 647.7 ± 0.2 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