Information card for entry 2221208

Structure parameters

• Chemical name: 1,4-Dichloronaphthalene-2,3-diol
• Formula: C10 H6 Cl2 O2
• Calculated formula: C10 H6 Cl2 O2
• SMILES: Clc1c(O)c(O)c(c2c1cccc2)Cl
• Title of publication: 1,4-Dichloronaphthalene-2,3-diol
• Authors of publication: Ahn, Paul D.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o636
• a: 5.0037 ± 0.0004 Å
• b: 11.589 ± 0.001 Å
• c: 15.546 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 901.48 ± 0.16 ų
• Cell temperature: 294 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 significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes