Information card for entry 8105214

Structure parameters

• Formula: C26 H17 N5 O4
• Calculated formula: C26 H17 N5 O4
• Title of publication: Crystal structure of methyl 4-{[4-(4-cyanobenzamido)phenyl]amino}benzofuro[2,3-d]pyrimidine-6-carboxylate, C26H17N5O4
• Authors of publication: Li, Pei-Xuan; Hui, Wei; Jing, Qin-Qin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 315 - 317
• a: 8.9297 ± 0.0012 Å
• b: 10.9926 ± 0.0015 Å
• c: 12.6758 ± 0.0018 Å
• α: 104.532 ± 0.002°
• β: 96.312 ± 0.002°
• γ: 112.398 ± 0.002°
• Cell volume: 1083.8 ± 0.3 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: 0.0596
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No