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Information card for entry 4511903
Preview
| Coordinates | 4511903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H31 N O3 |
|---|---|
| Calculated formula | C16 H31 N O3 |
| SMILES | OC(=O)CNC(=O)CCCCCCCCCCCCC |
| Title of publication | Structure and Thermotropic Phase Behavior of a Homologous Series ofN-Acylglycines: Neuroactive and Antinociceptive Constituents of Biomembranes |
| Authors of publication | Reddy, S. Thirupathi; Krovi, Krishna Prasad; Swamy, Musti J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 4944 |
| a | 92.388 ± 0.016 Å |
| b | 4.86 ± 0.0008 Å |
| c | 7.6485 ± 0.0013 Å |
| α | 90° |
| β | 91.702 ± 0.004° |
| γ | 90° |
| Cell volume | 3432.7 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0987 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.2072 |
| Weighted residual factors for all reflections included in the refinement | 0.218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4511903.cif |
| 179666 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19. |
4511903.cif |
| 124628 | 2014-10-06 | cif/ Updating files of 4511902, 4511903 Original log message: Adding full bibliography for 4511902--4511903.cif. |
4511903.cif |
| 123210 | 2014-09-07 | cif/ Adding structures of 4511903 via cif-deposit CGI script. |
4511903.cif |
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