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Information card for entry 2208952
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Coordinates | 2208952.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | N,N'-Octamethylenebis(4-methylbenzamide) |
---|---|
Formula | C24 H32 N2 O2 |
Calculated formula | C24 H32 N2 O2 |
SMILES | O=C(c1ccc(cc1)C)NCCCCCCCCNC(=O)c1ccc(cc1)C |
Title of publication | <i>N</i>,<i>N</i>'-Octamethylenebis(4-methylbenzamide) |
Authors of publication | Awaleh, Mohamed Osman; Badia, Antonnella; Brisse, François |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 5 |
Pages of publication | o1996 - o1997 |
a | 7.119 ± 0.0002 Å |
b | 5.1609 ± 0.0002 Å |
c | 28.4022 ± 0.001 Å |
α | 90° |
β | 96.679 ± 0.002° |
γ | 90° |
Cell volume | 1036.43 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0801 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1411 |
Weighted residual factors for all reflections included in the refinement | 0.1655 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2208952.html
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