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Information card for entry 4025505
Preview
Coordinates | 4025505.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H38 O6 |
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Calculated formula | C34 H38 O6 |
SMILES | c1(cc(OC)cc(c1C1=CC(c2c1cc1C(C=C(c3c(cc(cc3OC)OC)OC)c1c2)(C)C)(C)C)OC)OC |
Title of publication | Propargylic Activation Across a Heterobimetallic Ir-Sn Catalyst: Nucleophilic Substitution and Indene Formation with Propargylic Alcohols |
Authors of publication | Paresh Nath Chatterjee; Sujit Roy |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 4413 - 4423 |
a | 8.737 ± 0.0008 Å |
b | 19.4216 ± 0.0018 Å |
c | 10.0734 ± 0.001 Å |
α | 90° |
β | 114.92 ± 0.002° |
γ | 90° |
Cell volume | 1550.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0866 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.1343 |
Weighted residual factors for all reflections included in the refinement | 0.1533 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
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/4025505.html
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Users of the data should acknowledge the original authors of the
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