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Information card for entry 1503667
Preview
Coordinates | 1503667.cif |
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Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C18 H20 O5 |
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Calculated formula | C18 H20 O5 |
SMILES | c1(cc(c(cc1)OC)O)C(=C)c1cc(c(OC)c(OC)c1)OC |
Title of publication | Isocombretastatins a versus combretastatins a: the forgotten isoCA-4 isomer as a highly promising cytotoxic and antitubulin agent. |
Authors of publication | Messaoudi, Samir; Tréguier, Bret; Hamze, Abdallah; Provot, Olivier; Peyrat, Jean-François; De Losada, Jordi Rodrigo; Liu, Jian-Miao; Bignon, Jérôme; Wdzieczak-Bakala, Joanna; Thoret, Sylviane; Dubois, Joëlle; Brion, Jean-Daniel; Alami, Mouâd |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2009 |
Journal volume | 52 |
Journal issue | 14 |
Pages of publication | 4538 - 4542 |
a | 10.834 ± 0.001 Å |
b | 11.623 ± 0.001 Å |
c | 13.511 ± 0.001 Å |
α | 90 ± 0.05° |
β | 104 ± 0.05° |
γ | 90 ± 0.05° |
Cell volume | 1650.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0692 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.1126 |
Weighted residual factors for all reflections included in the refinement | 0.1267 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.7107 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. |
1503667.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. |
1503667.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503667.cif |
38968 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503667 via cif-deposit CGI script. |
1503667.cif |
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Users of the data should acknowledge the original authors of the
structural data.