Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1519313
Preview
Coordinates | 1519313.cif |
---|
Formula | C19 H19 N O2 |
---|---|
Calculated formula | C19 H19 N O2 |
SMILES | O1C[C@H]2[C@H](C(=O)N([C@@H]2c2ccccc2)C)[C@@H]1c1ccccc1.O1C[C@@H]2[C@@H](C(=O)N([C@H]2c2ccccc2)C)[C@H]1c1ccccc1 |
Title of publication | 5-Methyl-3,6-diphenyl-hexahydrofuro[3,4-c]pyrrol-4-one |
Authors of publication | Gelbrich, Thomas; Swain, Nigel; Hursthouse, Michael B.; Brown, Richard |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2001 |
Pages of publication | 529 |
a | 10.3182 ± 0.0003 Å |
b | 21.7444 ± 0.0007 Å |
c | 6.7 ± 0.0002 Å |
α | 90° |
β | 96.89 ± 0.02° |
γ | 90° |
Cell volume | 1492.38 ± 0.1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0697 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1084 |
Weighted residual factors for all reflections included in the refinement | 0.1182 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
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/1519313.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.