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Information card for entry 4507987
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Coordinates | 4507987.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | C2-beta-polymorph |
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Chemical name | Ethane-1,2-dioic acid |
Formula | C2 H2 O4 |
Calculated formula | C2 H2 O4 |
SMILES | C(=O)(C(=O)O)O |
Title of publication | Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series |
Authors of publication | Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 8 |
Pages of publication | 3651 |
a | 5.317 ± 0.0015 Å |
b | 5.9435 ± 0.0012 Å |
c | 5.3988 ± 0.0014 Å |
α | 90° |
β | 116.21 ± 0.03° |
γ | 90° |
Cell volume | 153.07 ± 0.08 Å3 |
Cell temperature | 156 ± 2 K |
Ambient diffraction temperature | 156 ± 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 | 0.0581 |
Residual factor for significantly intense reflections | 0.0559 |
Weighted residual factors for significantly intense reflections | 0.144 |
Weighted residual factors for all reflections included in the refinement | 0.1489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4507987.html
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