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Information card for entry 1507643
Preview
Coordinates | 1507643.cif |
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Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C12 H15 Cl N4 O7 |
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Calculated formula | C12 H15 Cl N4 O7 |
SMILES | ClC1=C(N)c2nc(cc(c2C(=O)C1=O)C(=O)NC)C(=O)N.O.O.O |
Title of publication | Ammosamide D, an Oxidatively Ring Opened Ammosamide Analog from a Marine-Derived Streptomyces variabilis. |
Authors of publication | Pan, Ende; Jamison, Matthew; Yousufuddin, Muhammed; Macmillan, John B. |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 9 |
Pages of publication | 2390 - 2393 |
a | 7.4256 ± 0.001 Å |
b | 9.7072 ± 0.0013 Å |
c | 10.579 ± 0.0014 Å |
α | 92.607 ± 0.001° |
β | 94.56 ± 0.002° |
γ | 94.16 ± 0.001° |
Cell volume | 757.13 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.1102 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507643.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. |
1507643.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507643.cif |
57600 | 2012-05-18 | cif/ Adding structures of 1507643 via cif-deposit CGI script. |
1507643.cif |
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Users of the data should acknowledge the original authors of the
structural data.