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Information card for entry 7117510
Preview
Coordinates | 7117510.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H27 N3 O3 |
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Calculated formula | C30 H27 N3 O3 |
SMILES | n1(c2c(c3c4c5c(n(c4c4c6c(n(c4c13)C)ccc(c6)OC)C)ccc(c5)OC)cc(OC)cc2)C |
Title of publication | Palladium-catalysed decarboxylative nitrile insertion via C-H activation or self-coupling of indole-2-carboxylic acids: a new route to indolocarbolines and triindoles |
Authors of publication | R. N. Prasad Tulichala; K. C. Kumara Swamy |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 12008 |
a | 21.214 ± 0.003 Å |
b | 8.2654 ± 0.0011 Å |
c | 27.017 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4737.2 ± 1.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0646 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1193 |
Weighted residual factors for all reflections included in the refinement | 0.1249 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7117510.html
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