Information card for entry 2211007

Structure parameters

• Chemical name: 4-hydroxy-2-((4-hydroxy-1-oxo-phthalazin-2(1H)-yl)methyl)phthalazin-1(2H)-one methanol disolvate
• Formula: C19 H20 N4 O6
• Calculated formula: C19 H20 N4 O6
• Title of publication: 4-Hydroxy-2-[(4-hydroxy-1-oxo-1,2-dihydrophthalazin-2-yl)methyl]phthalazin-1(2<i>H</i>)-one methanol disolvate
• Authors of publication: Hu, Sheng-li; Guo, Hui-Zhen; Chen, Ai-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4922 - o4923
• a: 22.233 ± 0.003 Å
• b: 4.839 ± 0.0005 Å
• c: 18.438 ± 0.002 Å
• α: 90°
• β: 112.575 ± 0.002°
• γ: 90°
• Cell volume: 1831.7 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes