Information card for entry 4518602

Structure parameters

• Formula: C44 H56 N6 O
• Calculated formula: C44 H56 N6 O
• Title of publication: Structural Diversification of Hapalindole and Fischerindole Natural Products via Cascade Biocatalysis
• Authors of publication: Hohlman, Robert M.; Newmister, Sean A.; Sanders, Jacob N.; Khatri, Yogan; Li, Shasha; Keramati, Nikki R.; Lowell, Andrew N.; Houk, K. N.; Sherman, David H.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 4670 - 4681
• a: 11.3688 ± 0.0009 Å
• b: 15.8213 ± 0.0004 Å
• c: 22.0726 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3970.2 ± 0.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.1088
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2313
• Weighted residual factors for all reflections included in the refinement: 0.2539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No