Information card for entry 1518303

Structure parameters

• Formula: C23 H17 Br N2 O2
• Calculated formula: C23 H17 Br N2 O2
• SMILES: Brc1cccc2n3c4c(N[C@](C(=O)Oc5ccccc5)(c3cc12)C)cccc4
• 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: 5.3773 ± 0.0013 Å
• b: 25.658 ± 0.007 Å
• c: 14.111 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1946.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No