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Information card for entry 1571513
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Coordinates | 1571513.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 21159z |
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Formula | C32 H42 N2 O9 Os Si |
Calculated formula | C32 H42 N2 O9 Os Si |
SMILES | [Os]12([N](CC[N]1(C)C)(C)C)(O[C@@]13C4=C5C(C(=O)c6cc(OC)c(OC)cc56)=C([Si](C)(C)C)[C@]1(O2)CO[C@]1([C@@H]3C(=O)[C@@H]4C=C1)C)(=O)=O.[Os]12([N](CC[N]1(C)C)(C)C)(O[C@]13C4=C5C(C(=O)c6cc(OC)c(OC)cc56)=C([Si](C)(C)C)[C@@]1(O2)CO[C@@]1([C@H]3C(=O)[C@H]4C=C1)C)(=O)=O |
Title of publication | Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes. |
Authors of publication | Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R. |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 21 |
Pages of publication | 8181 - 8189 |
a | 12.5341 ± 0.0006 Å |
b | 19.6037 ± 0.0012 Å |
c | 13.2334 ± 0.0006 Å |
α | 90° |
β | 91.919 ± 0.002° |
γ | 90° |
Cell volume | 3249.8 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0477 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0565 |
Weighted residual factors for all reflections included in the refinement | 0.0626 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
292929 (current) | 2024-07-05 | cif/ Updating files of 1571511, 1571512, 1571513, 1571514 Original log message: Adding full bibliography for 1571511--1571514.cif. |
1571513.cif |
291421 | 2024-05-01 | cif/ Adding structures of 1571511, 1571512, 1571513, 1571514 via cif-deposit CGI script. |
1571513.cif |
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Users of the data should acknowledge the original authors of the
structural data.