Information card for entry 7156852

Structure parameters

• Formula: C30.5 H26 Cl N3 O
• Calculated formula: C30.5 H26 Cl N3 O
• Title of publication: Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.
• Authors of publication: Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5505 - 5508
• a: 9.6209 ± 0.0008 Å
• b: 10.4364 ± 0.0008 Å
• c: 14.6138 ± 0.0012 Å
• α: 87.2358 ± 0.0013°
• β: 82.3312 ± 0.0013°
• γ: 64.4367 ± 0.0012°
• Cell volume: 1311.79 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No