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Information card for entry 1512042
Preview
Coordinates | 1512042.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H16 N2 O Si |
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Calculated formula | C13 H16 N2 O Si |
SMILES | [nH]1c(cc2c(ccnc12)OC)C#C[Si](C)(C)C |
Title of publication | Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems. |
Authors of publication | Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C. |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 11 |
Pages of publication | 2616 - 2619 |
a | 12.3949 ± 0.0002 Å |
b | 12.5045 ± 0.0003 Å |
c | 17.7115 ± 0.0004 Å |
α | 90° |
β | 94.3358 ± 0.0013° |
γ | 90° |
Cell volume | 2737.28 ± 0.1 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for all reflections | 0.1193 |
Weighted residual factors for significantly intense reflections | 0.1139 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9984 |
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/1512042.html
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