Information card for entry 7118248

Structure parameters

• Formula: C27 H24 N2 O3
• Calculated formula: C27 H24 N2 O3
• SMILES: C1(=O)[C@]2(c3ccccc3N1Cc1ccccc1)[C@H](CC(c1ccccc1)=N2)C(=O)OCC.C1(=O)[C@@]2(c3ccccc3N1Cc1ccccc1)[C@@H](CC(c1ccccc1)=N2)C(=O)OCC
• Title of publication: Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.
• Authors of publication: Zhu, Xu; Chiba, Shunsuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2473 - 2476
• a: 10.9476 ± 0.0004 Å
• b: 11.03 ± 0.0003 Å
• c: 11.0714 ± 0.0003 Å
• α: 86.1003 ± 0.0017°
• β: 64.8281 ± 0.0017°
• γ: 60.6087 ± 0.0015°
• Cell volume: 1037.28 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7118247
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No