Information card for entry 1505871

Structure parameters

• Chemical name: (7a-Hydroxymethyl-1,2,3,7a-tetrahydro-inden-3a-yl)-methanol
• Formula: C11 H16 O2
• Calculated formula: C11 H16 O2
• SMILES: [C@]12(CCC[C@@]1(C=CC=C2)CO)CO
• Title of publication: Dearomatization-bis-alkylation of aromatic and heteroaromatic diesters promoted by Me3SnLi via a stanna-Brook rearrangement.
• Authors of publication: Monje, Pablo; Graña, Paula; Paleo, M. Rita; Sardina, F. Javier
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 951 - 954
• a: 7.8294 ± 0.0013 Å
• b: 11.3508 ± 0.0015 Å
• c: 11.6799 ± 0.0005 Å
• α: 104.494 ± 0.005°
• β: 91.16 ± 0.008°
• γ: 101.957 ± 0.012°
• Cell volume: 980.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1575
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2413
• Weighted residual factors for all reflections included in the refinement: 0.2667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No