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Information card for entry 4501680
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Coordinates | 4501680.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 3,5-Dihydroxybenzoicacid |
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Chemical name | 3,5-Dihydroxybenzoicacid |
Formula | C7 H6 O4 |
Calculated formula | C7 H6 O4 |
Title of publication | Polymorphism in Isomeric Dihydroxybenzoic Acids |
Authors of publication | Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini |
Journal of publication | Crystal Growth & Design |
Year of publication | 2010 |
Journal volume | 10 |
Journal issue | 5 |
Pages of publication | 2388 |
a | 7.3447 ± 0.0015 Å |
b | 15.015 ± 0.003 Å |
c | 6.484 ± 0.0013 Å |
α | 90° |
β | 111.67 ± 0.03° |
γ | 90° |
Cell volume | 664.5 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0536 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1314 |
Weighted residual factors for all reflections included in the refinement | 0.1353 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179547 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/16. |
4501680.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501680.cif |
36027 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501680 via cif-deposit CGI script. |
4501680.cif |
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Users of the data should acknowledge the original authors of the
structural data.