Information card for entry 2006444

Structure parameters

• Chemical name: anti-2,5-di(isopropyl)phenyldi(1-tricyclo[3.3.1.1^3,7^]decyl)methanol
• Formula: C33 H48 O
• Calculated formula: C33 H48 O
• SMILES: OC(c1c(ccc(c1)C(C)C)C(C)C)(C12CC3CC(CC(C1)C3)C2)C12CC3CC(CC(C1)C3)C2
• Title of publication: A Highly Strained Tertiary Alcohol: <i>anti</i>-Di(1-adamantyl)[2,5-di(isopropyl)phenyl]methanol
• Authors of publication: Vaissermann, Jacqueline; Lomas, John S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1341 - 1343
• a: 11.081 ± 0.003 Å
• b: 15.147 ± 0.008 Å
• c: 15.668 ± 0.008 Å
• α: 90°
• β: 96.14 ± 0.03°
• γ: 90°
• Cell volume: 2615 ± 2 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1414
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No