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Information card for entry 1514930
Preview
Coordinates | 1514930.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H7 N2 O3 |
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Calculated formula | C8 H7 N2 O3 |
Title of publication | Matrixes in UV-MALDI mass spectrometry ‒ crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids |
Authors of publication | Ivanova, Bojidarka B. |
Journal of publication | Analytical Methods |
Year of publication | 2012 |
Journal volume | 4 |
Journal issue | 8 |
Pages of publication | 2247 |
a | 21.047 ± 0.006 Å |
b | 8.368 ± 0.002 Å |
c | 9.364 ± 0.002 Å |
α | 90° |
β | 101.972 ± 0.008° |
γ | 90° |
Cell volume | 1613.3 ± 0.7 Å3 |
Cell temperature | 199 ± 2 K |
Ambient diffraction temperature | 199 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0477 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.1061 |
Weighted residual factors for all reflections included in the refinement | 0.122 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.687 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1514930.cif |
124583 | 2014-10-05 | cif/1/ (saulius@koala.ibt.lt) Removing Professor Michael Spiteller's name from the authors' list as requested in the addendum: http://www.rsc.org/suppdata/ay/c2/c2ay25090j/addition.htm |
1514930.cif |
124582 | 2014-10-05 | cif/1/ (saulius@koala.ibt.lt) Removing incorrect chmical name data from the rest of the 10.1039/C2AY25090J strctures. |
1514930.cif |
110789 | 2014-04-20 | cif/ Adding structures of 1514927, 1514928, 1514929, 1514930, 1514931 via cif-deposit CGI script. |
1514930.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.