Information card for entry 8106125

Structure parameters

• Formula: C20 H29 N3 O5
• Calculated formula: C20 H29 N3 O5
• Title of publication: Crystal Structure of ethyl (E)-3,4-dimethyl-5-((2-(4-methylbenzoyl)hydrazono)methyl)-1H-pyrrole-2-carboxylate — water — ethanol (1/1/1), C20H29N3O5
• Authors of publication: Wu, Hao; Hu, Qiang; Wang, Yuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 279 - 280
• a: 9.1571 ± 0.0018 Å
• b: 10.505 ± 0.002 Å
• c: 11.576 ± 0.002 Å
• α: 94.509 ± 0.004°
• β: 92.57 ± 0.004°
• γ: 102.312 ± 0.003°
• Cell volume: 1082.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.112
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No