Information card for entry 2201645

Structure parameters

• Chemical name: 2,2-dichloro-6-methoxy-3,4-dihydro-2H-naphthalene
• Formula: C11 H10 Cl2 O2
• Calculated formula: C11 H10 Cl2 O2
• SMILES: ClC1(Cl)C(=O)c2ccc(OC)cc2CC1
• Title of publication: 2,2-Dichloro-6-methoxy-3,4-dihydro-2<i>H</i>-naphthalene
• Authors of publication: Christopher L. Brown; James A. Freiberg; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1239 - o1240
• a: 17.569 ± 0.005 Å
• b: 10.745 ± 0.003 Å
• c: 12.239 ± 0.004 Å
• α: 90°
• β: 109.83 ± 0.02°
• γ: 90°
• Cell volume: 2173.5 ± 1.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes