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Information card for entry 7133570
Preview
Coordinates | 7133570.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H19 I N6 |
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Calculated formula | C21 H19 I N6 |
Title of publication | Neutral and ionic <i>N</i>-methyl phenylazo-3,5-(di-2-pyridyl)pyrazole photoswitches: probes for reversible pH modulation by light. |
Authors of publication | Singh, Sapna; Velloth, Archana; Rajani, ?; Goyal, Manu; Kaur, Navneet; Singh, Sanjay; Venkataramani, Sugumar |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 77 |
Pages of publication | 10776 - 10779 |
a | 9.2634 ± 0.0003 Å |
b | 11.5165 ± 0.0004 Å |
c | 19.7935 ± 0.0009 Å |
α | 90° |
β | 95.013 ± 0.003° |
γ | 90° |
Cell volume | 2103.53 ± 0.14 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 | 0.0734 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1603 |
Weighted residual factors for all reflections included in the refinement | 0.1922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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