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Information card for entry 7132708
Preview
Coordinates | 7132708.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H31 Cl N2 O6 |
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Calculated formula | C33 H31 Cl N2 O6 |
Title of publication | Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies. |
Authors of publication | Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 20 |
Pages of publication | 2800 - 2803 |
a | 10.8824 ± 0.0006 Å |
b | 10.0217 ± 0.0006 Å |
c | 14.4325 ± 0.0008 Å |
α | 90° |
β | 111.003 ± 0.002° |
γ | 90° |
Cell volume | 1469.44 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0363 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0961 |
Weighted residual factors for all reflections included in the refinement | 0.0964 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~3~ |
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/7132708.html
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