Information card for entry 7118253

Structure parameters

• Formula: C27 H26 N2 O3
• Calculated formula: C27 H26 N2 O3
• SMILES: C1(=O)[C@@]2(c3ccccc3N1Cc1ccccc1)[C@@H](C[C@H](c1ccccc1)N2)C(=O)OCC.C1(=O)[C@]2(c3ccccc3N1Cc1ccccc1)[C@H](C[C@@H](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: 8.2128 ± 0.0006 Å
• b: 12.0722 ± 0.0009 Å
• c: 12.1473 ± 0.001 Å
• α: 80.826 ± 0.003°
• β: 73.356 ± 0.003°
• γ: 74.316 ± 0.002°
• Cell volume: 1106.54 ± 0.15 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: 0.0881
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1554
• 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