Information card for entry 8105210

Structure parameters

• Formula: C34 H36 N4 O5
• Calculated formula: C34 H36 N4 O5
• Title of publication: Crystal structure of methyl 2-(4-(2-(cyclopentyl-amino)-1-(N-(4-methoxyphenyl)-1-methyl-5-phenyl-1-H-pyrazole-3-carboxamido)-2-oxoethyl)phenyl)acetate, C34H36N4O5
• Authors of publication: Zhang, Youlu; Ma, Fengwei; Zhang, Bo; Mi, Xia; Zhang, Jingyu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 301 - 303
• a: 29.9636 ± 0.0009 Å
• b: 20.4 ± 0.0003 Å
• c: 14.2266 ± 0.0004 Å
• α: 90°
• β: 132.845 ± 0.005°
• γ: 90°
• Cell volume: 6376 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0668
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No