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Information card for entry 1552694
Preview
Coordinates | 1552694.cif |
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Original paper (by DOI) | HTML |
Formula | C23.33 H30.07 N0.67 O3.4 |
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Calculated formula | C23.3333 H30.0667 N0.666667 O3.4 |
Title of publication | Ascomylactams A-C, Cytotoxic 12- or 13-Membered-Ring Macrocyclic Alkaloids Isolated from the Mangrove Endophytic Fungus <i>Didymella</i> sp. CYSK-4, and Structure Revisions of Phomapyrrolidones A and C. |
Authors of publication | Chen, Yan; Liu, Zhaoming; Huang, Yun; Liu, Lan; He, Jianguo; Wang, Lan; Yuan, Jie; She, Zhigang |
Journal of publication | Journal of natural products |
Year of publication | 2019 |
Journal volume | 82 |
Journal issue | 7 |
Pages of publication | 1752 - 1758 |
a | 11.6923 ± 0.0001 Å |
b | 7.0558 ± 0.0001 Å |
c | 19.0143 ± 0.0002 Å |
α | 90° |
β | 100.318 ± 0.001° |
γ | 90° |
Cell volume | 1543.28 ± 0.03 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0348 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.079 |
Weighted residual factors for all reflections included in the refinement | 0.0814 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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