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Information card for entry 4133895
Preview
Coordinates | 4133895.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H24 O2 |
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Calculated formula | C15 H24 O2 |
SMILES | O1[C@@]2(CC[C@]34[C@@H](CC[C@@H]3[C@]1([C@@H](O)[C@H]2C4)C)C)C |
Title of publication | Genome Mining of Alkaloidal Terpenoids from a Hybrid Terpene and Nonribosomal Peptide Biosynthetic Pathway. |
Authors of publication | Yee, Danielle A.; Kakule, Thomas B.; Cheng, Wei; Chen, Mengbin; Chong, Christine T. Y.; Hai, Yang; Hang, Leibniz F.; Hung, Yiu-Sun; Liu, Nicholas; Ohashi, Masao; Okorafor, Ikechukwu C.; Song, Yongxiang; Tang, ManCheng; Zhang, Zhuan; Tang, Yi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
a | 9.1845 ± 0.0002 Å |
b | 11.3146 ± 0.0002 Å |
c | 12.5358 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1302.71 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 3 |
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 | 0.0297 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.0743 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4133895.html
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Users of the data should acknowledge the original authors of the
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