Information card for entry 1518304

Structure parameters

• Formula: C26 H21 Cl N2 O2
• Calculated formula: C26 H21 Cl N2 O2
• SMILES: c12ccccc1n1ccc(c1[C@](C(=O)OCc1ccccc1)(C)N2)c1ccc(cc1)Cl
• Title of publication: H8-BINOL Chiral Imidodiphosphoric Acids Catalyzed Enantioselective Synthesis of Dihydroindolo-/-pyrrolo[1,2-a]quinoxalines.
• Authors of publication: Fan, Yan-Sen; Jiang, Yi-Jun; An, Dong; Sha, Di; Antilla, Jon C.; Zhang, Suoqin
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6112
• a: 13.8842 ± 0.0006 Å
• b: 5.6862 ± 0.0002 Å
• c: 14.2638 ± 0.0006 Å
• α: 90°
• β: 108.43 ± 0.001°
• γ: 90°
• Cell volume: 1068.35 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No