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Information card for entry 7243459
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Coordinates | 7243459.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H26 N6 O4 |
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Calculated formula | C34 H26 N6 O4 |
Title of publication | 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence |
Authors of publication | Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 39 |
Pages of publication | 6952 - 6966 |
a | 7.6359 ± 0.0005 Å |
b | 13.6124 ± 0.0009 Å |
c | 14.8657 ± 0.0008 Å |
α | 103.866 ± 0.005° |
β | 103.123 ± 0.005° |
γ | 100.924 ± 0.005° |
Cell volume | 1411.53 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0883 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1294 |
Weighted residual factors for all reflections included in the refinement | 0.1515 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243459.html
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Users of the data should acknowledge the original authors of the
structural data.