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Information card for entry 1564046
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Coordinates | 1564046.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H19 N2 Na O4 |
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Calculated formula | C13 H19 N2 Na O4 |
SMILES | [Na+].[O-]C(=O)[C@H](n1c[n+](cc1)[C@@H](C(=O)[O-])C(C)C)C(C)C |
Title of publication | Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour |
Authors of publication | Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 513 |
Pages of publication | 119923 |
a | 10.7365 ± 0.0013 Å |
b | 10.7365 ± 0.0013 Å |
c | 12.6548 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1458.7 ± 0.3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 78 |
Hermann-Mauguin space group symbol | P 43 |
Hall space group symbol | P 4cw |
Residual factor for all reflections | 0.0308 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0646 |
Weighted residual factors for all reflections included in the refinement | 0.0659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
267382 (current) | 2021-07-08 | cif/ Adding structures of 1564044, 1564045, 1564046, 1564047 via cif-deposit CGI script. |
1564046.cif |
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Users of the data should acknowledge the original authors of the
structural data.