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Information card for entry 7213042
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Coordinates | 7213042.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N-Pentyl-4-nitroaniline |
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Formula | C11 H16 N2 O2 |
Calculated formula | C11 H16 N2 O2 |
SMILES | c1c(NCCCCC)ccc(N(=O)=O)c1 |
Title of publication | N-Alkyl-p-nitroanilines: impact of alkyl chain length on crystal structures and optical SHG |
Authors of publication | Gangopadhyay, P.; Venugopal Rao, S.; Narayana Rao, D.; Radhakrishnan, T. P. |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 1999 |
Journal volume | 9 |
Journal issue | 8 |
Pages of publication | 1699 |
a | 6.192 ± 0.003 Å |
b | 15.61 ± 0.07 Å |
c | 11.851 ± 0.006 Å |
α | 90 ± 0.13° |
β | 97.52 ± 0.04° |
γ | 90 ± 0.13° |
Cell volume | 1136 ± 5 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0753 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1627 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.259 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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