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Information card for entry 7055089
Preview
Coordinates | 7055089.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Methyl 6'-amino-5-bromo-5'-cyano-2-oxo-1'-phenyl-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-3'-carboxylate |
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Formula | C25 H20 Br N5 O5 |
Calculated formula | C25 H20 Br N5 O5 |
Title of publication | A novel one pot four-component reaction for the efficient synthesis of spiro[indoline-3,4′-pyrano[2,3-c]pyrazole]-3′-carboxylate and trifluoromethylated spiro[indole-3,4′-pyrano[2,3-c]pyrazole] derivatives using recyclable PEG-400 |
Authors of publication | Karnakar, K.; Ramesh, K.; Reddy, K. Harsha Vardhan; Anil Kumar, B. S. P.; Nanubonula, Jagadeesh Babu; Nageswar, Y. V. D. |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 11 |
Pages of publication | 8978 |
a | 10.107 ± 0.003 Å |
b | 11.058 ± 0.003 Å |
c | 12.667 ± 0.003 Å |
α | 71.325 ± 0.004° |
β | 71.161 ± 0.004° |
γ | 78.62 ± 0.004° |
Cell volume | 1262.3 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0745 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1258 |
Weighted residual factors for all reflections included in the refinement | 0.1409 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7055089.html
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Users of the data should acknowledge the original authors of the
structural data.