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Information card for entry 1503106
Preview
| Coordinates | 1503106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H34 F2 O4 |
|---|---|
| Calculated formula | C58 H34 F2 O4 |
| SMILES | Fc1ccc([C@]2(O)N(Cc3c4ccc5c6c4c(cc3)ccc6ccc5)C(=O)c3c2cc2c(c3)[C@](O)(N(Cc3c4c5c(cc3)ccc3c5c(cc4)ccc3)C2=O)c2ccc(F)cc2)cc1 |
| 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 | 9.124 ± 0.0003 Å |
| b | 12.5563 ± 0.0005 Å |
| c | 15.4232 ± 0.0005 Å |
| α | 108.753 ± 0.003° |
| β | 100.834 ± 0.003° |
| γ | 98.211 ± 0.003° |
| Cell volume | 1603.59 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1221 |
| Residual factor for significantly intense reflections | 0.1104 |
| Weighted residual factors for significantly intense reflections | 0.3098 |
| Weighted residual factors for all reflections included in the refinement | 0.3192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503106.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503106.cif |
| 37017 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503105, 1503106, 1503107, 1503108, 1503109 via cif-deposit CGI script. |
1503106.cif |
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Users of the data should acknowledge the original authors of the
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