Information card for entry 1545972

Structure parameters

• Formula: C23 H17 Cl N2 O3
• Calculated formula: C23 H17 Cl N2 O3
• SMILES: Clc1cc2[C@](O)(C(=O)N(c2cc1)Cc1ccccc1)c1c(O)c2cc[nH]c2cc1
• Title of publication: Hydroxy-Directed Enantioselective Hydroxyalkylation in the Carbocyclic Ring of Indoles.
• Authors of publication: Montesinos-Magraner, Marc; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1546 - 1549
• a: 8.812 ± 0.0002 Å
• b: 11.495 ± 0.0004 Å
• c: 19.111 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1935.83 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0844
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No