Information card for entry 2004448

Structure parameters

• Formula: C18 H18 O2
• Calculated formula: C18 H18 O2
• SMILES: [C@@]1(CCc2ccccc12)([C@@]1(CCc2ccccc12)O)O.[C@]1(CCc2ccccc12)([C@]1(CCc2ccccc12)O)O
• Title of publication: A Pinacol Precursor to a Chiral Spiro Compound
• Authors of publication: Schaefer, W. P.; Henling, L. M.; McBay, H. C.; Abulū, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 104 - 107
• a: 10.798 ± 0.003 Å
• b: 12.1 ± 0.003 Å
• c: 12.359 ± 0.003 Å
• α: 106.24 ± 0.02°
• β: 104.27 ± 0.03°
• γ: 103.54 ± 0.02°
• Cell volume: 1420.6 ± 0.7 ų
• Cell temperature: 294 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No