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Information card for entry 7157344
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Coordinates | 7157344.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 5-Azaindole |
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Chemical name | methyl 1-benzyl-4-(1-benzyl-1H-pyrrol-2-yl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylate |
Formula | C27 H23 N3 O2 |
Calculated formula | C54 H42 N6 O4 |
Title of publication | Serendipitous base catalysed condensation-heteroannulation of iminoesters: a regioselective route to the synthesis of 4,6-disubstituted 5-azaindoles. |
Authors of publication | Dudhe, Premansh; Venkatasubbaiah, Krishnan; Pathak, Biswarup; Chelvam, Venkatesh |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 8 |
Pages of publication | 1582 - 1587 |
a | 11.1329 ± 0.0004 Å |
b | 11.9307 ± 0.0005 Å |
c | 17.5044 ± 0.0007 Å |
α | 79.39 ± 0.003° |
β | 89.757 ± 0.002° |
γ | 77.142 ± 0.003° |
Cell volume | 2226.3 ± 0.16 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.1432 |
Residual factor for significantly intense reflections | 0.0668 |
Weighted residual factors for significantly intense reflections | 0.1757 |
Weighted residual factors for all reflections included in the refinement | 0.2216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/7157344.html
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