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Information card for entry 4508015
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Coordinates | 4508015.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | C7-180-alpha-polymorph |
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Chemical name | Heptane-1,7-dioic acid |
Formula | C7 H12 O4 |
Calculated formula | C7 H12 O4 |
SMILES | O=C(O)CCCCCC(=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 | 5.5422 ± 0.0002 Å |
b | 9.5516 ± 0.0005 Å |
c | 16.0334 ± 0.0006 Å |
α | 90° |
β | 109.573 ± 0.003° |
γ | 90° |
Cell volume | 799.71 ± 0.06 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.0453 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0938 |
Weighted residual factors for all reflections included in the refinement | 0.0996 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4508015.html
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