Information card for entry 4116031

Structure parameters

• Formula: C24 H23 Cl2 N O
• Calculated formula: C24 H23 Cl2 N O
• SMILES: Clc1cc2CN([C@H]([C@@H](OCc3c(c2cc1)ccc(Cl)c3)c1ccccc1)C)C
• Title of publication: Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings
• Authors of publication: David R. Spring; Shyam Krishnan; Stuart L. Schreiber
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 5656 - 5657
• a: 17.988 ± 0.002 Å
• b: 7.0987 ± 0.0008 Å
• c: 17.823 ± 0.002 Å
• α: 90°
• β: 109.749 ± 0.008°
• γ: 90°
• Cell volume: 2142 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No