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Information card for entry 7132023
Preview
Coordinates | 7132023.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H41 N2 O P Sn |
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Calculated formula | C30 H41 N2 O P Sn |
SMILES | [Sn]1(P=C=O)[N](c2c(C(C)C)cccc2C(C)C)=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C |
Title of publication | Stannyl phosphaketene as a synthon for phosphorus analogues of β-lactam |
Authors of publication | Luo, Yong-An; Zhao, Zhao; Chen, Ting; Li, Yanguo; Zhao, Yufen; Stephan, Douglas W.; Wu, Yile |
Journal of publication | Chemical Communications |
Year of publication | 2023 |
a | 9.076 ± 0.011 Å |
b | 11.89 ± 0.02 Å |
c | 14.91 ± 0.014 Å |
α | 96.7 ± 0.09° |
β | 98.19 ± 0.09° |
γ | 110.74 ± 0.12° |
Cell volume | 1465 ± 4 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273.15 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1031 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
285791 (current) | 2023-08-17 | cif/ Adding structures of 7132023, 7132024, 7132025, 7132026, 7132027, 7132028, 7132029 via cif-deposit CGI script. |
7132023.cif |
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Users of the data should acknowledge the original authors of the
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