Information card for entry 8100529

Structure parameters

• Formula: C14 H24 O3
• Calculated formula: C14 H24 O3
• SMILES: C1(=O)C=C[C@H](CCCCCCCC[C@@H](C)O1)O.C1(=O)C=C[C@@H](CCCCCCCC[C@H](C)O1)O
• Title of publication: Crystal structure of (2E,4R13S)-4-hydroxytetradec-2-en-13-olide,
• Authors of publication: Kaisalo, Leena; Mutikainen, Ilpo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 41 - 42
• a: 10.809 ± 0.002 Å
• b: 10.983 ± 0.002 Å
• c: 13.897 ± 0.003 Å
• α: 81.52 ± 0.03°
• β: 81.54 ± 0.03°
• γ: 60.64 ± 0.03°
• Cell volume: 1416.8 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No