Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2210415
Preview
Coordinates | 2210415.cif |
---|---|
Structure factors | 2210415.hkl |
Original IUCr paper | HTML |
Chemical name | 4'-(4-Chlorophenyl)-2'-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin- 2-yl]-1'-methyl-2-phenyl-spiro[1,3-oxazole-4(5H),3'-pyrrolidin]-5-one |
---|---|
Formula | C35 H30 Cl N3 O4 |
Calculated formula | C35 H30 Cl N3 O4 |
SMILES | Clc1ccc([C@@H]2[C@@]3(N=C(OC3=O)c3ccccc3)[C@H](N(C2)C)[C@@H]2N(C(=O)[C@H]2c2ccccc2)c2ccc(OC)cc2)cc1.Clc1ccc([C@H]2[C@]3(N=C(OC3=O)c3ccccc3)[C@@H](N(C2)C)[C@H]2N(C(=O)[C@@H]2c2ccccc2)c2ccc(OC)cc2)cc1 |
Title of publication | 4'-(4-Chlorophenyl)-2'-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-1'-methyl-2-phenyl-spiro[1,3-oxazole-4(5<i>H</i>),3'-pyrrolidin]-5-one |
Authors of publication | A. Subbiahpandi; D. Velmurugan; K. Ravikumar; N. Arumugam; R. Raghunathan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 9 |
Pages of publication | o4166 - o4168 |
a | 10.0409 ± 0.001 Å |
b | 13.2335 ± 0.0013 Å |
c | 13.4951 ± 0.0013 Å |
α | 117.751 ± 0.002° |
β | 94.976 ± 0.002° |
γ | 98.865 ± 0.002° |
Cell volume | 1542 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0791 |
Residual factor for significantly intense reflections | 0.0589 |
Weighted residual factors for significantly intense reflections | 0.1748 |
Weighted residual factors for all reflections included in the refinement | 0.1926 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2210415.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.