Information card for entry 8103318

Structure parameters

• Formula: C18 H20 N2 O4
• Calculated formula: C18 H20 N2 O4
• SMILES: N(=C\c1c(OCCOc2c(/C=N/OC)cccc2)cccc1)/OC
• Title of publication: Crystal structure of 2,2'-(1,2-ethylenedioxy)bisbenzaldehyde O,O'-dimethyldioxime, C18H20N2O4
• Authors of publication: Yu-Jie Zhang; Shou-Ting Zhang; Jiao Wang; Guo-Hua Liu; Gang Wang; Xiong-Hou Gao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 119
• a: 20.674 ± 0.002 Å
• b: 8.1642 ± 0.0008 Å
• c: 10.4029 ± 0.0009 Å
• α: 90°
• β: 100.268 ± 0.001°
• γ: 90°
• Cell volume: 1727.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No