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Information card for entry 1547120
Preview
Coordinates | 1547120.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H33 N O5 |
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Calculated formula | C27 H33 N O5 |
SMILES | N1=CO[C@]2(Oc3c([C@H]([C@@]12C(=O)OC)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)cccc3)C.N1=CO[C@@]2(Oc3c([C@@H]([C@]12C(=O)OC)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)cccc3)C |
Title of publication | Catalyst-Enabled Scaffold Diversity: Highly Chemo- and Stereoselective Synthesis of Tricyclic Ketals and Triarylmethanes. |
Authors of publication | Liao, Jia-Yu; Ni, Qijian; Zhao, Yu |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 15 |
Pages of publication | 4074 - 4077 |
a | 25.0398 ± 0.0015 Å |
b | 10.8136 ± 0.0005 Å |
c | 18.7266 ± 0.0012 Å |
α | 90° |
β | 104.572 ± 0.002° |
γ | 90° |
Cell volume | 4907.5 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0821 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1255 |
Weighted residual factors for all reflections included in the refinement | 0.1431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/1547120.html
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Users of the data should acknowledge the original authors of the
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