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Information card for entry 7038595
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Coordinates | 7038595.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H15 N O S |
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Calculated formula | C17 H15 N O S |
SMILES | S(c1ccccc1)CCn1c2ccccc2c(c1)C=O |
Title of publication | Palladacycles of unsymmetrical (N,C(-),E) (E = S/Se) pincers based on indole: their synthesis, structure and application in the catalysis of Heck coupling and allylation of aldehydes. |
Authors of publication | Singh, Mahabir P.; Saleem, Fariha; Rao, Gyandshwar K.; Kumar, S.; Joshi, Hemant; Singh, Ajai K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 15 |
Pages of publication | 6718 - 6725 |
a | 8.671 ± 0.004 Å |
b | 19.626 ± 0.008 Å |
c | 8.562 ± 0.004 Å |
α | 90° |
β | 105.042 ± 0.008° |
γ | 90° |
Cell volume | 1407.1 ± 1.1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1123 |
Residual factor for significantly intense reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.1202 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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