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Information card for entry 7157609
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Coordinates | 7157609.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cis,trans-indigo dimer |
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Formula | C128 H72 N16 O16 |
Calculated formula | C128 H72 N16 O16 |
Title of publication | Discovery and properties of a new indigoid structure type based on dimeric cis-indigos. |
Authors of publication | Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 30 |
Pages of publication | 5838 - 5842 |
a | 15.8835 ± 0.0003 Å |
b | 7.9818 ± 0.0002 Å |
c | 18.7804 ± 0.0004 Å |
α | 90° |
β | 98.45 ± 0.001° |
γ | 90° |
Cell volume | 2355.11 ± 0.09 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 4 |
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 | 0.063 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.1199 |
Weighted residual factors for all reflections included in the refinement | 0.1297 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/7157609.html
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