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Information card for entry 4065937
Preview
Coordinates | 4065937.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H35 O2 Y |
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Calculated formula | C43 H35 O2 Y |
SMILES | [Y]123456789(OC(=C(c%10ccccc%10)c%10ccccc%10)[C@H]%10C=C[C@@H]%11[C@H]%10C(=[O]1)C%11(c1ccccc1)c1ccccc1)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91.[Y]123456789(OC(=C(c%10ccccc%10)c%10ccccc%10)[C@@H]%10C=C[C@H]%11[C@@H]%10C(=[O]1)C%11(c1ccccc1)c1ccccc1)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91 |
Title of publication | Unexpected Tandem Reactions of Tris(cyclopentadieny1)lanthanide with Diphenylketene and Regeneration of the η5-Bonding Mode: One-Pot Synthesis of Heteroleptic Yttrocenes from Simple (C5H5)3Y Precursors |
Authors of publication | Li, Xiaoqing; Liu, Ruiting; Zhang, Zhengxing; Mu, Xiaoming; Weng, Linhong; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 15 |
Pages of publication | 3298 |
a | 14.114 ± 0.005 Å |
b | 14.127 ± 0.005 Å |
c | 19.507 ± 0.007 Å |
α | 79.535 ± 0.006° |
β | 83.477 ± 0.005° |
γ | 60.758 ± 0.004° |
Cell volume | 3336 ± 2 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 | 0.1088 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.0425 |
Weighted residual factors for all reflections included in the refinement | 0.0464 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
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/4065937.html
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Users of the data should acknowledge the original authors of the
structural data.