Information card for entry 2007726

Structure parameters

• Common name: S,S-trans-2,3-tetralindiol
• Chemical name: (S,S)-trans-1,2,3,4-tetrahydro-2,3-naphthalenediol
• Formula: C10 H12 O2
• Calculated formula: C10 H12 O2
• SMILES: O[C@H]1Cc2c(C[C@@H]1O)cccc2
• Title of publication: (<i>S</i>,<i>S</i>)-<i>trans</i>-2,3-Tetralindiol
• Authors of publication: Michael A. Lloyd; Garth E. Patterson; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1486 - 1488
• a: 5.9103 ± 0.0004 Å
• b: 28.2842 ± 0.0019 Å
• c: 5.0635 ± 0.0003 Å
• α: 90°
• β: 93.975 ± 0.007°
• γ: 90°
• Cell volume: 844.42 ± 0.1 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No