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Information card for entry 4067000
Preview
Coordinates | 4067000.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H46 O4 Y2 |
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Calculated formula | C41 H46 O4 Y2 |
SMILES | [Y]123456789%10([O]([Y]%11%12%13%14%15%16%17%18([OH]1)([cH]1[cH]%18[cH]%11[cH]%12[cH]%131)[cH]1[cH]%17[cH]%16[cH]%15[cH]%141)C(c1ccccc1)(c1ccccc1)[c]12[cH]3[cH]%10[cH]4[cH]51)([O]1CCCC1)[cH]1[cH]9[cH]8[cH]7[cH]61.O1CCCC1 |
Title of publication | Reactions of Cp3Y with Benzophenone: A Simple and Efficient Method for Transformation of Unsubstituted Cyclopentadienyl to Bridgedansa-Cyclopentadienyl/Alkoxyl Ligand |
Authors of publication | Li, Xiaoqing; Hong, Jianquan; Liu, Ruiting; Weng, Linhong; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 20 |
Pages of publication | 4606 |
a | 17.786 ± 0.006 Å |
b | 10.494 ± 0.004 Å |
c | 20.214 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3773 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1172 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.0416 |
Weighted residual factors for all reflections included in the refinement | 0.0476 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.777 |
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/4067000.html
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Users of the data should acknowledge the original authors of the
structural data.