Information card for entry 4127783

Structure parameters

• Formula: C27 H29 N2 O4.5
• Calculated formula: C27 H28 N2 O4.5
• Title of publication: Total Syntheses of Herqulines B and C.
• Authors of publication: Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 8
• Pages of publication: 3409 - 3413
• a: 12.114 ± 0.0001 Å
• b: 12.9777 ± 0.0001 Å
• c: 14.7578 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2320.1 ± 0.03 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: 0.0351
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No