Information card for entry 8102602

Structure parameters

• Common name: not measured
• Chemical name: 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene— 1,4-dioxane (1:1), C~8~H~2~Cl~2~N~2~O~2~ . C~4~H~8~O~2~
• Formula: C12 H10 Cl2 N2 O4
• Calculated formula: C12 H10 Cl2 N2 O4
• Title of publication: Crystal structure of 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene — 1,4-dioxane (1:1), C8H2Cl2N2O2 · C4H8O2
• Authors of publication: Wei-Qiu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 95
• a: 6.773 Å
• b: 9.132 Å
• c: 21.691 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1341.61 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No