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Information card for entry 4088006
Preview
Coordinates | 4088006.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H31 N O4 |
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Calculated formula | C34 H31 N O4 |
SMILES | n1(cc(c(c1c1ccc(cc1)C)c1ccccc1)C(=O)c1ccc(cc1)C)c1cc(OC)c(OC)c(OC)c1 |
Title of publication | Reactions of Zirconocene‒1-Aza-1,3-diene Complexes with Acyl Cyanides: Substrate-Dependent Synthesis of Acyl- or Non-Acyl-Substituted Pyrroles |
Authors of publication | Xiong, Meijun; Yu, Shasha; Xie, Xin; Li, Shi; Liu, Yuanhong |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 23 |
Pages of publication | 5597 |
a | 10.2739 ± 0.0011 Å |
b | 11.7595 ± 0.0013 Å |
c | 11.7723 ± 0.0013 Å |
α | 76.562 ± 0.002° |
β | 83.01 ± 0.002° |
γ | 88.457 ± 0.002° |
Cell volume | 1373.1 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0667 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.1197 |
Weighted residual factors for all reflections included in the refinement | 0.1331 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4088006.html
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Users of the data should acknowledge the original authors of the
structural data.