Information card for entry 2216619

Structure parameters

• Chemical name: 2,7,9-Trimethyl-8-oxatetracyclo[5.4.1.1^3,10^.0^5,9^]tridecan-<i>endo</i>-2-ol
• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: O1[C@]2([C@@H]3C[C@@H]4C[C@H]2C[C@]1(C[C@@H]([C@]4(O)C)C3)C)C.O1[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@]1(C[C@H]([C@@]4(O)C)C3)C)C
• Title of publication: 2,7,9-Trimethyl-8-oxatetracyclo[5.4.1.1^3,10^.0^5,9^]tridecan-<i>endo</i>-2-ol
• Authors of publication: Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4689 - o4689
• a: 7.091 ± 0.001 Å
• b: 12.465 ± 0.002 Å
• c: 15.842 ± 0.003 Å
• α: 90°
• β: 113.31 ± 0.01°
• γ: 90°
• Cell volume: 1286 ± 0.4 ų
• Cell temperature: 294 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.87
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes