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Information card for entry 4028567
Preview
Coordinates | 4028567.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H23 Fe N3 |
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Calculated formula | C26 H23 Fe N3 |
SMILES | [Fe]12345678([cH]9[cH]1[cH]2[cH]4[cH]39)[cH]1[c]5([cH]8[cH]7[cH]61)c1nc2c(cc1)cc(cc2)c1ccc(nc1)N(C)C |
Title of publication | One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction |
Authors of publication | Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 8730 - 8738 |
a | 23 ± 0.007 Å |
b | 7.545 ± 0.002 Å |
c | 11.657 ± 0.004 Å |
α | 90° |
β | 90.115 ± 0.004° |
γ | 90° |
Cell volume | 2022.9 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0716 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.0886 |
Weighted residual factors for all reflections included in the refinement | 0.1015 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4028567.html
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