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Information card for entry 1503109
Preview
| Coordinates | 1503109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H54 F2 N6 O8 |
|---|---|
| Calculated formula | C48 H54 F2 N6 O8 |
| SMILES | Fc1ccc([C@]2(O)N(C(=O)c3cc4c(C(=O)N([C@]4(O)c4ccc(F)cc4)c4ccc(cc4)C)cc23)c2ccc(cc2)C)cc1.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C |
| Title of publication | Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly. |
| Authors of publication | Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 17 |
| Pages of publication | 3756 - 3759 |
| a | 8.572 ± 0.003 Å |
| b | 9.6617 ± 0.0015 Å |
| c | 13.723 ± 0.002 Å |
| α | 93.667 ± 0.013° |
| β | 92.869 ± 0.018° |
| γ | 96.67 ± 0.017° |
| Cell volume | 1124.6 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0967 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1835 |
| Weighted residual factors for all reflections included in the refinement | 0.1964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503109.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1503109.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503109.cif |
| 37017 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503105, 1503106, 1503107, 1503108, 1503109 via cif-deposit CGI script. |
1503109.cif |
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