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Information card for entry 1516635
Preview
Coordinates | 1516635.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H43 N O8 |
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Calculated formula | C26 H43 N O8 |
SMILES | N1([C@@H]2[C@@H]3C[C@]4(O)[C@](CC[C@H](OC)[C@]24[C@H]2[C@H]4[C@]3(O)C[C@@H]3OC(O[C@]3(C2)[C@@H]4O)(C)C)(COC)C1)CC.O |
Title of publication | C19-diterpenoid alkaloids from Aconitum hemsleyanum var. circinatum. |
Authors of publication | Gao, Feng; Chen, Qiao-Hong; Wang, Feng-Peng |
Journal of publication | Journal of natural products |
Year of publication | 2007 |
Journal volume | 70 |
Journal issue | 5 |
Pages of publication | 876 - 879 |
a | 9.186 ± 0.0018 Å |
b | 10.212 ± 0.002 Å |
c | 54.792 ± 0.011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5139.9 ± 1.8 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.0647 |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.1358 |
Weighted residual factors for all reflections included in the refinement | 0.1391 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 1505227 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
1516635.cif |
176729 | 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. |
1516635.cif |
129076 | 2014-12-26 | Fixing formulae and Z values for several entries |
1516635.cif |
117674 | 2014-06-15 | cif/ Adding structures of 1516635 via cif-deposit CGI script. |
1516635.cif |
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Users of the data should acknowledge the original authors of the
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