Information card for entry 4118934

Structure parameters

• Formula: C38 H39 Cl N2 O6
• Calculated formula: C38 H39 Cl N2 O6
• SMILES: O=C(OC)C/C=C/[C@H](CCc1ccccc1)[C@@](NC(=O)c1c(OC)cccc1OC)(C(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
• Title of publication: Highly Regio-, Diastereo-, and Enantioselective 1,6- and 1,8-Additions of Azlactones to Di- and Trienyl N-Acylpyrroles
• Authors of publication: Daisuke Uraguchi; Ken Yoshioka; Yusuke Ueki; Takashi Ooi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 19370 - 19373
• a: 10.008 ± 0.003 Å
• b: 10.996 ± 0.003 Å
• c: 30.926 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3403.3 ± 1.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No