Information card for entry 1516727

Structure parameters

• Formula: C26 H23 N O3
• Calculated formula: C26 H23 N O3
• SMILES: N1([C@H](OC)[C@H]2C3c4c(C(c5c3cccc5)[C@H]2C1=O)cccc4)c1ccc(OC)cc1
• 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: 8.755 ± 0.003 Å
• b: 11.955 ± 0.003 Å
• c: 19.235 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2013.3 ± 1 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: 0.1801
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No