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Information card for entry 4032435
Preview
Coordinates | 4032435.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H34 Br2 N3 O |
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Calculated formula | C40 H33 Br2 N3 O |
SMILES | Brc1ccc(cc1)[C@H]1[C@H](C2=Nc3c(C2(C)C)cccc3)[C@H](N[C@@]21c1ccccc1N(C2=O)Cc1ccccc1)c1ccc(Br)cc1.Brc1ccc(cc1)[C@@H]1[C@@H](C2=Nc3c(C2(C)C)cccc3)[C@@H](N[C@]21c1ccccc1N(C2=O)Cc1ccccc1)c1ccc(Br)cc1 |
Title of publication | Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3'-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities. |
Authors of publication | Zhu, Guodong; Liu, Siyuan; Wu, Shiqi; Peng, Lianghong; Qu, Jingping; Wang, Baomin |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 8 |
Pages of publication | 4317 - 4327 |
a | 11.2235 ± 0.0002 Å |
b | 12.7822 ± 0.0003 Å |
c | 13.1058 ± 0.0003 Å |
α | 62.549 ± 0.001° |
β | 83.916 ± 0.001° |
γ | 87.437 ± 0.001° |
Cell volume | 1659.06 ± 0.06 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0568 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.1211 |
Weighted residual factors for all reflections included in the refinement | 0.1311 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
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/4032435.html
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Users of the data should acknowledge the original authors of the
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