Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7223941
Preview
| Coordinates | 7223941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 N2 O3 |
|---|---|
| Calculated formula | C21 H20 N2 O3 |
| SMILES | N1c2ccc(cc2C2(N(CC(=C2c2ccccc2)C(=O)OC)C)C1=O)C |
| Title of publication | Combinatorial Synthesis of Spiro[indoline-3,2'-pyrrole] Derivatives via a Three-component Reaction under Catalyst-free Conditions |
| Authors of publication | Shang, Yongjia; Shi, Guanghao; He, Xinwei; Xie, Meihua |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 12.9571 ± 0.001 Å |
| b | 9.0882 ± 0.0008 Å |
| c | 14.8304 ± 0.0012 Å |
| α | 90° |
| β | 92.225 ± 0.002° |
| γ | 90° |
| Cell volume | 1745.1 ± 0.2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174610 (current) | 2016-01-20 | cif/ Adding structures of 7223941 via cif-deposit CGI script. |
7223941.cif |
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.