Information card for entry 1557573

Structure parameters

• Chemical name: 12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol
• Formula: C19 H18 O2
• Calculated formula: C19 H18 O2
• SMILES: O1CC2(O)c3c(ccc(c3CC=C2c2ccccc12)C)C
• Title of publication: 12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol
• Authors of publication: Lough, Alan J.; Koh, Samuel; Tam, William
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 3
• Pages of publication: x200315
• a: 12.2712 ± 0.0007 Å
• b: 11.2934 ± 0.0006 Å
• c: 10.8984 ± 0.0007 Å
• α: 90°
• β: 112.565 ± 0.002°
• γ: 90°
• Cell volume: 1394.71 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes