Information card for entry 2004384

Structure parameters

• Formula: C12 H20 N2 O3
• Calculated formula: C12 H20 N2 O3
• Title of publication: 5-Hexylamino-1,2-benzoquinone 2-Oxime Monohydrate
• Authors of publication: Charalambous, J.; Thomas, T. A.; Carugo, O.; Castellani, C. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 150 - 152
• a: 8.016 ± 0.001 Å
• b: 11.552 ± 0.001 Å
• c: 14.409 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1334.3 ± 0.3 ų
• Cell temperature: 293 ± 2 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: 0.046
• Weighted residual factors for significantly intense reflections: 0.023
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No