Information card for entry 2207934

Structure parameters

• Chemical name: 7-(Hydroxymethyl)-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
• Formula: C12 H12 O
• Calculated formula: C12 H12 O
• SMILES: OCc1cccc2C=C[C@H]3[C@@H](c12)C3.OCc1cccc2C=C[C@@H]3[C@H](c12)C3
• Title of publication: 7-(Hydroxymethyl)-1a,7b-dihydro-1<i>H</i>-cyclopropa[<i>a</i>]naphthalene
• Authors of publication: Gu, Shao-Jin; Jing, Lin-Hai; Zhang, Huan-Xia; Lei, Gang; Qin, Da-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o286 - o287
• a: 20.373 ± 0.003 Å
• b: 20.373 ± 0.003 Å
• c: 8.618 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3577 ± 1.1 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1822
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes