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Information card for entry 1518732
Preview
Coordinates | 1518732.cif |
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Original paper (by DOI) | HTML |
Formula | C48.63 H73.25 Cl3.25 N6 O10 |
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Calculated formula | C48.625 H73.25 Cl3.25 N6 O10 |
Title of publication | Antineoplastic agents. 599. Total synthesis of dolastatin 16. |
Authors of publication | Pettit, George R.; Smith, Thomas H.; Arce, Pablo M.; Flahive, Erik J.; Anderson, Collin R.; Chapuis, Jean-Charles; Xu, Jun-Ping; Groy, Thomas L.; Belcher, Paul E.; Macdonald, Christian B. |
Journal of publication | Journal of natural products |
Year of publication | 2015 |
Journal volume | 78 |
Journal issue | 3 |
Pages of publication | 476 - 485 |
a | 10.3987 ± 0.001 Å |
b | 18.7734 ± 0.0018 Å |
c | 27.849 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5436.7 ± 0.9 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0677 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1536 |
Weighted residual factors for all reflections included in the refinement | 0.1611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
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. |
1518732.cif |
134821 | 2015-04-04 | cif/ Updating files of 1518732 Original log message: Adding full bibliography for 1518732.cif. |
1518732.cif |
131961 | 2015-02-18 | cif/ Adding structures of 1518732 via cif-deposit CGI script. |
1518732.cif |
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Users of the data should acknowledge the original authors of the
structural data.