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Information card for entry 7114502
Preview
| Coordinates | 7114502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H25 N O4 |
|---|---|
| Calculated formula | C19 H25 N O4 |
| Title of publication | Synthesis and structural analysis of dehydrophenylalanine cyclophanes |
| Authors of publication | Gibson (née Thomas), Susan E.; Jones, Jerome O.; Kalindjian, S. Barret; Knight, Jamie D.; Steed, Jonathan W.; Tozer, Matthew J. |
| Journal of publication | Chemical Communications |
| Year of publication | 2002 |
| Journal issue | 17 |
| Pages of publication | 1938 |
| a | 9.068 ± 0.002 Å |
| b | 10.189 ± 0.003 Å |
| c | 11.317 ± 0.003 Å |
| α | 68.324 ± 0.015° |
| β | 75.548 ± 0.016° |
| γ | 77.333 ± 0.015° |
| Cell volume | 931.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2153 |
| Residual factor for significantly intense reflections | 0.15 |
| Weighted residual factors for significantly intense reflections | 0.2157 |
| Weighted residual factors for all reflections included in the refinement | 0.2361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.278 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7114502.cif |
| 180259 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/45. |
7114502.cif |
| 132206 | 2015-02-21 | cif/7/11/ (antanas@koala.ibt.lt) Updating bibliography for CIFs 7114501, 7114502, 7114503. |
7114502.cif |
| 116818 | 2014-06-14 | cif/ Adding structures of 7114501, 7114502, 7114503 via cif-deposit CGI script. |
7114502.cif |
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Users of the data should acknowledge the original authors of the
structural data.