Information card for entry 7244609

Structure parameters

• Formula: C30 H26 N2
• Calculated formula: C30 H26 N2
• Title of publication: TMSOTf-mediated Kröhnke pyridine synthesis using HMDS as the nitrogen source under microwave irradiation
• Authors of publication: Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 8263 - 8273
• a: 9.8179 ± 0.0003 Å
• b: 10.4973 ± 0.0003 Å
• c: 11.9206 ± 0.0003 Å
• α: 76.321 ± 0.001°
• β: 87.727 ± 0.001°
• γ: 66.756 ± 0.001°
• Cell volume: 1094.83 ± 0.05 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No