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Information card for entry 7151658
Preview
| Coordinates | 7151658.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H29 N O4 |
|---|---|
| Calculated formula | C24 H29 N O4 |
| SMILES | O=C(O)c1cc2C(CC3(c2cc1OC)CC(c1cc(N)c(OC)cc31)(C)C)(C)C |
| Title of publication | Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers. |
| Authors of publication | Ramesh, Veera V. E.; Roy, Arup; Vijayadas, Kuruppanthara N.; Kendhale, Amol M.; Prabhakaran, Panchami; Gonnade, Rajesh; Puranik, Vedavati G.; Sanjayan, Gangadhar J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 367 - 369 |
| a | 10.881 ± 0.007 Å |
| b | 17.932 ± 0.011 Å |
| c | 11.015 ± 0.007 Å |
| α | 90° |
| β | 104.754 ± 0.01° |
| γ | 90° |
| Cell volume | 2078 ± 2 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1334 |
| Residual factor for significantly intense reflections | 0.0912 |
| Weighted residual factors for significantly intense reflections | 0.2283 |
| Weighted residual factors for all reflections included in the refinement | 0.2556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151658.cif |
| 180302 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/16. |
7151658.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151658.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151658.cif |
| 14978 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151658, 7151659 via cif-deposit CGI script. |
7151658.cif |
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