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Information card for entry 7158443
Preview
Coordinates | 7158443.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H32 N3 O |
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Calculated formula | C29 H32 N3 O |
Title of publication | 1,6-Addition of 1,2,3-NH triazoles to <i>para</i>-quinone methides: Facile access to highly selective N<sup>1</sup> and N<sup>2</sup> substituted triazoles. |
Authors of publication | Rai, Vishakha; P, Kavyashree; Harmalkar, Sarvesh S.; Dhuri, Sundar N.; Maddani, Mahagundappa R. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 2 |
Pages of publication | 345 - 351 |
a | 11.0143 ± 0.0014 Å |
b | 15.747 ± 0.002 Å |
c | 15.541 ± 0.002 Å |
α | 90° |
β | 104.578 ± 0.004° |
γ | 90° |
Cell volume | 2608.7 ± 0.6 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1382 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1487 |
Weighted residual factors for all reflections included in the refinement | 0.1957 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7158443.html
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