Information card for entry 2201138

Structure parameters

• Chemical name: (1R,2R)-2-(2-Bromophenoxy)-1,2-dihydronaphthalen-1-ol
• Formula: C16 H13 Br O2
• Calculated formula: C16 H13 Br O2
• SMILES: Brc1c(O[C@H]2[C@H](O)c3ccccc3C=C2)cccc1
• Title of publication: (1<i>R</i>,2<i>R</i>)-2-(2-Bromophenoxy)-1,2-dihydronaphthalen-1-ol
• Authors of publication: Fagnou, Keith; Lautens, Mark; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o540 - o541
• a: 4.607 ± 0.0002 Å
• b: 11.2898 ± 0.0004 Å
• c: 24.9751 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1299.01 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes