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Information card for entry 7229650
Preview
Coordinates | 7229650.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H22 N2 O4 S |
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Calculated formula | C20 H22 N2 O4 S |
Title of publication | Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach |
Authors of publication | Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui |
Journal of publication | RSC Advances |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 87 |
Pages of publication | 55026 |
a | 8.3685 ± 0.0009 Å |
b | 6.1721 ± 0.0003 Å |
c | 18.2702 ± 0.0011 Å |
α | 90° |
β | 95.727 ± 0.001° |
γ | 90° |
Cell volume | 938.97 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0891 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1148 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
203969 (current) | 2017-12-05 | cif/ Adding structures of 7229650, 7229651, 7229652, 7229653 via cif-deposit CGI script. |
7229650.cif |
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Users of the data should acknowledge the original authors of the
structural data.