Information card for entry 2000374

Structure parameters

• Formula: C13 H24 O3
• Calculated formula: C13 H24 O3
• SMILES: C[C@H](/C=C/[C@H]1[C@H](C)[C@H](O)[C@H](CC1(C)C)O)O
• Title of publication: Structure of a new C~13~-norisoprenoid
• Authors of publication: Rodríguez, M. L.; Brito B, I.; González, A. G.; Almonacid, L. N.; Pérez, C.; Trujillo, J. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2192 - 2194
• a: 6.746 ± 0.001 Å
• b: 7.712 ± 0.001 Å
• c: 12.62 ± 0.01 Å
• α: 90°
• β: 102.86 ± 0.01°
• γ: 90°
• Cell volume: 640.1 ± 0.5 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No