Information card for entry 1511858

Structure parameters

• Formula: C26 H18.5 N2 O4.25
• Calculated formula: C26 H18.5 N2 O4.25
• SMILES: O=C1Oc2ccc3c(c2[C@@H]2N1CCN1[C@H]2c2c(OC1=O)ccc1c2cccc1)cccc3.O=C1Oc2ccc3c(c2[C@H]2N1CCN1[C@@H]2c2c(OC1=O)ccc1c2cccc1)cccc3.O
• 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: 11.735 ± 0.003 Å
• b: 13.252 ± 0.004 Å
• c: 15.517 ± 0.005 Å
• α: 67.939 ± 0.004°
• β: 71.678 ± 0.003°
• γ: 65.26 ± 0.004°
• Cell volume: 1995.4 ± 1 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: 0.122
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No