Information card for entry 1505356

Structure parameters

• Common name: GRp-Cl
• Formula: C29 H23 Cl N2 O
• Calculated formula: C29 H23 Cl N2 O
• SMILES: Clc1ccc(cc1)[C@@H](NC(=O)c1ccccc1)c1c2ccccc2n(c1)Cc1ccccc1
• Title of publication: The highly enantioselective addition of indoles to N-acyl imines with use of a chiral phosphoric acid catalyst.
• Authors of publication: Rowland, Gerald B.; Rowland, Emily B.; Liang, Yuxue; Perman, Jason A.; Antilla, Jon C.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 14
• Pages of publication: 2609 - 2611
• a: 4.9615 ± 0.0015 Å
• b: 9.864 ± 0.003 Å
• c: 46.603 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2280.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0912
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No