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Information card for entry 4033890
Preview
Coordinates | 4033890.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Py-Ts-Me-I |
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Formula | C11.99 H11.96 I1.01 N O2 S |
Calculated formula | C11.9853 H11.9559 I1.0147 N O2 S |
Title of publication | Synthesis of the Ring C Pyrrole of Native Chlorophylls and Bacteriochlorophylls. |
Authors of publication | Wang, Pengzhi; Chau Nguyen, Khiem; Lindsey, Jonathan S. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 17 |
Pages of publication | 11286 - 11293 |
a | 6.3705 ± 0.0003 Å |
b | 16.0873 ± 0.0007 Å |
c | 25.9006 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2654.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0625 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0805 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.218 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4033890.html
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structural data.