Information card for entry 1511857

Structure parameters

• Formula: C20 H18 N2 O6
• Calculated formula: C20 H18 N2 O6
• SMILES: N12C(=O)Oc3c([C@@H]1[C@@H]1N(C(=O)Oc4c1ccc(OC)c4)CC2)ccc(OC)c3.N12C(=O)Oc3c([C@H]1[C@H]1N(C(=O)Oc4c1ccc(OC)c4)CC2)ccc(OC)c3
• Title of publication: Facile, efficient, and diastereoselective synthesis of heterohelicene-like molecules.
• Authors of publication: Lin, Wei; Dou, Guo-Lan; Hu, Ming-Hua; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1238 - 1241
• a: 6.2683 ± 0.0005 Å
• b: 10.5563 ± 0.0017 Å
• c: 13.972 ± 0.002 Å
• α: 92.725 ± 0.002°
• β: 101.373 ± 0.003°
• γ: 105.089 ± 0.002°
• Cell volume: 870.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1172
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No