Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006433
Preview
| Coordinates | 7006433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C8 H13 N O3 |
|---|---|
| Calculated formula | C8 H13 N O3 |
| SMILES | O1C(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |
| Title of publication | Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4. |
| Authors of publication | Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 6 |
| Pages of publication | 846 - 851 |
| a | 8.905 ± 0.002 Å |
| b | 5.256 ± 0.001 Å |
| c | 9.185 ± 0.003 Å |
| α | 90° |
| β | 99.11 ± 0.01° |
| γ | 90° |
| Cell volume | 424.48 ± 0.19 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for all reflections | 0.0832 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Goodness-of-fit parameter for all reflections | 1.083 |
| Goodness-of-fit parameter for significantly intense reflections | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7006433.cif |
| 179768 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/64. |
7006433.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006433.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006433.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006433.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.