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Information card for entry 4080621
Preview
Coordinates | 4080621.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H33 I2 N5 |
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Calculated formula | C25 H33 I2 N5 |
SMILES | [I-].[I-].n1(c([n+](c2c1cccc2)C)Cc1n(c2ccccc2[n+]1C)C(C)C)C(C)C.N#CC |
Title of publication | Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities |
Authors of publication | Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 8 |
Pages of publication | 2435 |
a | 9.8028 ± 0.0003 Å |
b | 11.821 ± 0.0003 Å |
c | 13.1591 ± 0.0003 Å |
α | 106.495 ± 0.001° |
β | 94.501 ± 0.001° |
γ | 108.649 ± 0.001° |
Cell volume | 1361.08 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 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 | 0.0235 |
Residual factor for significantly intense reflections | 0.0215 |
Weighted residual factors for significantly intense reflections | 0.056 |
Weighted residual factors for all reflections included in the refinement | 0.0573 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4080621.html
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Users of the data should acknowledge the original authors of the
structural data.