Information card for entry 2227145

Structure parameters

• Chemical name: 2-(1-Adamantyl)-1,3-diphenylpropan-2-ol
• Formula: C25 H30 O
• Calculated formula: C25 H30 O
• SMILES: OC(C12CC3CC(CC(C1)C3)C2)(Cc1ccccc1)Cc1ccccc1
• Title of publication: 2-(1-Adamantyl)-1,3-diphenylpropan-2-ol
• Authors of publication: Babjaková, Eva; Nečas, Marek; Vícha, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2175
• a: 24.2808 ± 0.001 Å
• b: 6.3978 ± 0.0002 Å
• c: 25.2555 ± 0.0014 Å
• α: 90°
• β: 106.183 ± 0.005°
• γ: 90°
• Cell volume: 3767.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes