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Information card for entry 4506070
Preview
Coordinates | 4506070.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | SVP-4N-SUC (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)2-COOH |
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Formula | C15 H15 N3 O5 |
Calculated formula | C15 H15 N3 O5 |
SMILES | n1ccc(cc1)C(=O)Nc1ncccc1.C(=O)(O)CCC(=O)O |
Title of publication | Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy |
Authors of publication | Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 5 |
Pages of publication | 2579 |
a | 11.2578 ± 0.0007 Å |
b | 19.6623 ± 0.0011 Å |
c | 19.813 ± 0.0012 Å |
α | 93.236 ± 0.003° |
β | 91.236 ± 0.003° |
γ | 90.298 ± 0.003° |
Cell volume | 4377.6 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1427 |
Residual factor for significantly intense reflections | 0.0646 |
Weighted residual factors for significantly intense reflections | 0.1496 |
Weighted residual factors for all reflections included in the refinement | 0.185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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