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Information card for entry 1556776
Preview
Coordinates | 1556776.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H30 N4 O4 |
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Calculated formula | C22 H26 N4 O4 |
SMILES | c1(ccccn1)/C=C/C(=O)NCCCCCCNC(=O)/C=C/c1ccccn1.O.O |
Title of publication | Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. |
Authors of publication | Garai, Mousumi; Biradha, Kumar |
Journal of publication | IUCrJ |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | Pt 5 |
Pages of publication | 523 - 533 |
a | 7.6364 ± 0.0014 Å |
b | 30.058 ± 0.005 Å |
c | 4.8885 ± 0.0009 Å |
α | 90° |
β | 95.523 ± 0.006° |
γ | 90° |
Cell volume | 1116.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.2052 |
Residual factor for significantly intense reflections | 0.0714 |
Weighted residual factors for significantly intense reflections | 0.166 |
Weighted residual factors for all reflections included in the refinement | 0.1999 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.901 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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