Information card for entry 7125023

Structure parameters

• Formula: C23 H17 N3 O2
• Calculated formula: C23 H17 N3 O2
• Title of publication: Substrate-controlled switchable asymmetric annulations to access polyheterocyclic skeletons.
• Authors of publication: Wang, Kai-Kai; Wang, Pan; Ouyang, Qin; Du, Wei; Chen, Ying-Chun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 74
• Pages of publication: 11104 - 11107
• a: 10.06732 ± 0.00018 Å
• b: 10.59058 ± 0.00014 Å
• c: 22.9703 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2449.06 ± 0.07 ų
• Cell temperature: 292.6 ± 0.5 K
• Ambient diffraction temperature: 292.6 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No