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Information card for entry 7054384
Preview
Coordinates | 7054384.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H22 N2 O |
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Calculated formula | C23 H22 N2 O |
SMILES | O(c1ccc(cc1)C1N(N=C(C1)c1ccccc1)c1ccccc1)CC |
Title of publication | Homologous 1,3,5-triarylpyrazolines: Synthesis, CH•••π interactions guided self-assembly and effect of alkyloxy chain length on DNA binding properties |
Authors of publication | Anum, Faiza; Abbas, Asghar; Lo, Kong Mun; Rehman, Zia ur; Hameed, Shahid; Naseer, Muhammad Moazzam |
Journal of publication | New J. Chem. |
Year of publication | 2014 |
a | 22.0227 ± 0.0005 Å |
b | 5.5302 ± 0.0002 Å |
c | 15.8613 ± 0.0004 Å |
α | 90° |
β | 102.984 ± 0.002° |
γ | 90° |
Cell volume | 1882.36 ± 0.09 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1548 |
Residual factor for significantly intense reflections | 0.062 |
Weighted residual factors for significantly intense reflections | 0.1215 |
Weighted residual factors for all reflections included in the refinement | 0.1737 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7054384.html
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