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Information card for entry 7132765
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Coordinates | 7132765.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H36 N2 O9 |
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Calculated formula | C35 H36 N2 O9 |
Title of publication | Quantifying macrocyclization-induced strain utilizing <i>N</i>-phenylimides as conformational reporters. |
Authors of publication | Emenike, Bright U.; Shinn, David W.; Spinelle, Ronald A.; Yoo, Barney; Rosario, Ambar M. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 30 |
Pages of publication | 4040 - 4043 |
a | 10.6256 ± 0.0006 Å |
b | 14.683 ± 0.0008 Å |
c | 20.9217 ± 0.001 Å |
α | 110.478 ± 0.003° |
β | 90.035 ± 0.002° |
γ | 90.542 ± 0.002° |
Cell volume | 3057.7 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0619 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1237 |
Weighted residual factors for all reflections included in the refinement | 0.1311 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7132765.html
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Users of the data should acknowledge the original authors of the
structural data.