Information card for entry 1558936

Structure parameters

• Formula: C24 H21 N3 O3
• Calculated formula: C24 H21 N3 O3
• SMILES: O=C1N(/C=C/c2ccccc2)[C@](OC)(n2c1cc1c(n(c3c1cccc3)C)c2=O)C
• Title of publication: Bioactive Alkaloids from the Actinomycete Actinoalloteichus sp. ZZ1866
• Authors of publication: Qin, Le; Yi, Wenwen; Lian, Xiao-Yuan; Zhang, Zhizhen
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 6.30648 ± 0.00011 Å
• b: 11.9372 ± 0.0002 Å
• c: 26.4614 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1992.06 ± 0.06 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0314
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No