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Information card for entry 7151527
Preview
| Coordinates | 7151527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H28 F40 N4 O2 |
|---|---|
| Calculated formula | C74 H28 F40 N4 O2 |
| SMILES | c12Cc3c(c(c(Cc4c(c(c([nH]4)Cc4c(c(c(Cc([nH]2)c(c1c1c(F)c(F)c(F)c(F)c1F)c1c(c(F)c(F)c(F)c1F)F)[nH]4)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[nH]3)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.OC(C)C.OC(C)C |
| Title of publication | Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens |
| Authors of publication | Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2003 |
| Journal volume | 1 |
| Journal issue | 21 |
| Pages of publication | 3857 - 3865 |
| a | 18.886 ± 0.002 Å |
| b | 18.183 ± 0.002 Å |
| c | 9.886 ± 0.002 Å |
| α | 90° |
| β | 90.428 ± 0.003° |
| γ | 90° |
| Cell volume | 3394.8 ± 0.9 Å3 |
| Cell temperature | 173.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.209 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297163 (current) | 2025-01-07 | Updated bibliographic information in entries 7151523-7151536. |
7151527.cif |
| 193981 | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
7151527.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7151527.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151527.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151527.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151527.cif |
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Users of the data should acknowledge the original authors of the
structural data.