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Information card for entry 4110747
Preview
Coordinates | 4110747.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H26 Ir N O2 |
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Calculated formula | C20 H26 Ir N O2 |
SMILES | [Ir]1234(OC(=O)[C@H]5[N]1(CCC5)Cc1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1 |
Title of publication | Rhodium-Mediated Stereoselective Polymerization of "Carbenes" |
Authors of publication | Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Pages of publication | 9746 - 9752 |
a | 9.0881 ± 0.0005 Å |
b | 10.9092 ± 0.0004 Å |
c | 17.6478 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1749.67 ± 0.13 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0137 |
Residual factor for significantly intense reflections | 0.0124 |
Weighted residual factors for all reflections | 0.0256 |
Weighted residual factors for significantly intense reflections | 0.0252 |
Weighted residual factors for all reflections included in the refinement | 0.0256 |
Goodness-of-fit parameter for all reflections | 1.078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/4110747.html
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Users of the data should acknowledge the original authors of the
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