Information card for entry 1516726

Structure parameters

• Formula: C26 H23 N O2
• Calculated formula: C26 H23 N O2
• SMILES: N1(C(=O)[C@H]2[C@@H]([C@H]1OC)C1c3c(C2c2ccccc12)cccc3)Cc1ccccc1
• Title of publication: Enantioselective Catalytic Desymmetrization of Maleimides by Temporary Removal of an Internal Mirror Plane and Stereoablative Over-reduction: Synthesis of (R)-Pyrrolam A.
• Authors of publication: Marsh, Barrie J.; Adams, Harry; Barker, Mike D.; Kutama, Ibrahim U.; Jones, Simon
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 3780
• a: 9.115 ± 0.003 Å
• b: 10.756 ± 0.004 Å
• c: 19.937 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1954.6 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No