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Information card for entry 1517377
Preview
Coordinates | 1517377.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 N2 O |
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Calculated formula | C20 H26 N2 O |
SMILES | O(c1cc2c3c([nH]c2cc1)[C@@H]1C[C@@H]2CN(CC3)[C@H]1[C@H](C2)CC)C |
Title of publication | Iboga-Type Alkaloids from Ervatamia officinalis. |
Authors of publication | Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai |
Journal of publication | Journal of natural products |
Year of publication | 2014 |
Journal volume | 77 |
Journal issue | 8 |
Pages of publication | 1839 |
a | 10.41133 ± 0.00012 Å |
b | 16.7811 ± 0.00018 Å |
c | 19.4871 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3404.66 ± 0.06 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0289 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0721 |
Weighted residual factors for all reflections included in the refinement | 0.0729 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517377.cif |
123053 | 2014-09-06 | cif/ Updating files of 1517377, 1517378, 1517379, 1517380, 1517381 Original log message: Adding full bibliography for 1517377--1517381.cif. |
1517377.cif |
122120 | 2014-08-18 | cif/ Adding structures of 1517377 via cif-deposit CGI script. |
1517377.cif |
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Users of the data should acknowledge the original authors of the
structural data.