Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4086694
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4086694.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H43 In N2 O |
---|---|
Calculated formula | C37 H43 In N2 O |
SMILES | [In](OC(C)(c1ccccc1)c1ccccc1)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C |
Title of publication | Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium |
Authors of publication | Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 19 |
Pages of publication | 3311 |
a | 10.6283 ± 0.0004 Å |
b | 16.2319 ± 0.0008 Å |
c | 19.9904 ± 0.001 Å |
α | 73.337 ± 0.004° |
β | 87.66 ± 0.003° |
γ | 82.369 ± 0.003° |
Cell volume | 3274.6 ± 0.3 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0847 |
Residual factor for significantly intense reflections | 0.0761 |
Weighted residual factors for significantly intense reflections | 0.2188 |
Weighted residual factors for all reflections included in the refinement | 0.2242 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
Diffraction radiation probe | x-ray |
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/4086694.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.