Information card for entry 2004372

Structure parameters

• Formula: C18 H24 O3
• Calculated formula: C18 H24 O3
• SMILES: O1[C@@H](C[C@]2([C@]1(O)CCCC2)Cc1ccc(OC)cc1)C=C.O1[C@H](C[C@@]2([C@@]1(O)CCCC2)Cc1ccc(OC)cc1)C=C
• Title of publication: 1β-(4-Methoxybenzyl)-8α-vinyl-7-oxabicyclo[4.3.0]nonan-6β-ol
• Authors of publication: Gi, H.-J.; Wang, T.; Zhao, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 186 - 187
• a: 12.525 ± 0.003 Å
• b: 8.49 ± 0.002 Å
• c: 15.697 ± 0.006 Å
• α: 90°
• β: 104.19 ± 0.03°
• γ: 90°
• Cell volume: 1618.2 ± 0.9 ų
• Cell temperature: 299 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 5.7
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No