Information card for entry 4127784

Structure parameters

• Formula: C27 H34 Cl N2 O2.5
• Calculated formula: C27 H34 Cl N2 O2.5
• 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: 10.8485 ± 0.0003 Å
• b: 8.5152 ± 0.0003 Å
• c: 15.5978 ± 0.0006 Å
• α: 90°
• β: 106.083 ± 0.003°
• γ: 90°
• Cell volume: 1384.49 ± 0.08 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No