Information card for entry 2007996

Structure parameters

• Chemical name: 3RS,4RS-2-Methyl-3,4-diphenylhex-5-en-3-ol
• Formula: C19 H22 O
• Calculated formula: C19 H22 O
• SMILES: O[C@](C(C)C)([C@@H](C=C)c1ccccc1)c1ccccc1.O[C@@](C(C)C)([C@H](C=C)c1ccccc1)c1ccccc1
• Title of publication: (3<i>RS</i>,4<i>RS</i>)-2-Methyl-3,4-diphenyl-5-hexen-3-ol
• Authors of publication: Rainer Sjöholm; Reijo Sillanpää
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1999 - 2001
• a: 19.856 ± 0.003 Å
• b: 21.45 ± 0.004 Å
• c: 7.228 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3078 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes