Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4028514
Preview
Coordinates | 4028514.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H40 F2 N2 O7 |
---|---|
Calculated formula | C49 H40 F2 N2 O7 |
SMILES | c1ccccc1CN1c2ccc(cc2[C@@]2(C1=O)[C@@H]([C@]([C@]1([C@H]2C(=O)c2ccc(cc2)OC)C(=O)N(Cc2ccccc2)c2ccc(cc12)F)(c1ccc(cc1)OC)O)OC)F.c1ccccc1CN1c2ccc(cc2[C@]2(C1=O)[C@H]([C@@]([C@@]1([C@@H]2C(=O)c2ccc(cc2)OC)C(=O)N(Cc2ccccc2)c2ccc(cc12)F)(c1ccc(cc1)OC)O)OC)F |
Title of publication | Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles |
Authors of publication | Jing Sun; Ya-Jing Xie; Chao-Guo Yan |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 8354 - 8365 |
a | 10.207 ± 0.005 Å |
b | 11.783 ± 0.005 Å |
c | 19.638 ± 0.009 Å |
α | 84.53 ± 0.006° |
β | 78.165 ± 0.006° |
γ | 73.602 ± 0.006° |
Cell volume | 2215.8 ± 1.8 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 | 0.0772 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for significantly intense reflections | 0.14 |
Weighted residual factors for all reflections included in the refinement | 0.1535 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
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/4028514.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.