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Information card for entry 7205309
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Coordinates | 7205309.cif |
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Original paper (by DOI) | HTML |
Common name | (sebacic acid).(N'-(propan-2-ylidene)nicotinohydrazide)2 |
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Chemical name | (sebacic acid).(N'-(propan-2-ylidene)nicotinohydrazide)2 |
Formula | C28 H40 N6 O6 |
Calculated formula | C28 H40 N6 O6 |
SMILES | c1(cnccc1)C(=O)NN=C(C)C.OC(=O)CCCCCCCCC(=O)O.c1(cnccc1)C(=O)NN=C(C)C |
Title of publication | Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality |
Authors of publication | Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 55 |
a | 5.0707 ± 0.0001 Å |
b | 44.5556 ± 0.0008 Å |
c | 6.3992 ± 0.0001 Å |
α | 90° |
β | 94.587 ± 0.002° |
γ | 90° |
Cell volume | 1441.13 ± 0.04 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0834 |
Residual factor for significantly intense reflections | 0.0806 |
Weighted residual factors for significantly intense reflections | 0.1912 |
Weighted residual factors for all reflections included in the refinement | 0.1933 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7205309.html
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