Information card for entry 7156260

Structure parameters

• Formula: C23 H22 N2 O6
• Calculated formula: C23 H22 N2 O6
• Title of publication: Construction of the tetracyclic core of (±)-cycloclavine and 4-amino Uhle's ketone.
• Authors of publication: Chen, Jin-Quan; Mi, Yang; Shi, Zi-Fa; Cao, Xiao-Ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 3801 - 3808
• a: 9.6235 ± 0.0006 Å
• b: 13.3554 ± 0.0009 Å
• c: 16.7938 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2158.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1153
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No