Information card for entry 2209724

Structure parameters

• Common name: przewalskin
• Chemical name: 5,11,11-Trimethyl-16-oxatetracyclo[6.6.2.0^1,10^.0^2,7^]hexadeca-2,4,6- trien-4-ol
• Formula: C18 H24 O2
• Calculated formula: C18 H24 O2
• SMILES: O1[C@H]2C[C@H]3C(CCC[C@@]3(c3c2cc(c(O)c3)C)C1)(C)C
• Title of publication: 5,11,11-Trimethyl-16-oxatetracyclo[6.6.2.0^1,10^.0^2,7^]hexadeca-2,4,6-trien-4-ol
• Authors of publication: Ning-Bo Gong; Yang Lu; Qi-Tai Zheng; Gang Xu; Qin-Shi Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3163 - o3165
• a: 6.19 ± 0.0012 Å
• b: 10.979 ± 0.002 Å
• c: 11.622 ± 0.002 Å
• α: 90°
• β: 104.88 ± 0.03°
• γ: 90°
• Cell volume: 763.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes