Information card for entry 7053337

Structure parameters

• Formula: C20 H26 N O6
• Calculated formula: C20 H26 N O6
• Title of publication: Three new co-crystals of hydroquinone: crystal structures and Hirshfeld surface analysis of intermolecular interactions
• Authors of publication: Clausen, Henrik F.; Chevallier, Marie S.; Spackman, Mark A.; Iversen, Bo B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 193
• a: 5.5742 ± 0.0001 Å
• b: 9.8776 ± 0.0003 Å
• c: 17.6573 ± 0.0004 Å
• α: 101.171 ± 0.001°
• β: 92.245 ± 0.002°
• γ: 99.443 ± 0.002°
• Cell volume: 938.33 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No