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Information card for entry 7101183
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| Coordinates | 7101183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5,10,15,20-tetrakis(3,5-di-t-butyl-4-hydroxyphenyl)porphyrin |
|---|---|
| Chemical name | 5,10,15,20-tetrakis(3,5-di-t-butyl-4-hydroxyphenyl)porphyrin |
| Formula | C94 H122 N4 O4 |
| Calculated formula | C94 H122 N4 O4 |
| Title of publication | Regulating the stability of 2D crystal structures using an oxidation state-dependent molecular conformation |
| Authors of publication | Hill, Jonathan P.; Wakayama, Yutaka; Schmitt, Wolfgang; Tsuruoka, Tohru; Nakanishi, Takashi; Zandler, Melvin L.; McCarty, Amy L.; D'Souza, Francis; Milgrom, Lionel R.; Ariga, Katsuhiko |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2006 |
| Journal issue | 22 |
| Pages of publication | 2320 - 2322 |
| a | 10.643 ± 0.002 Å |
| b | 14.476 ± 0.003 Å |
| c | 15.377 ± 0.003 Å |
| α | 97.08 ± 0.03° |
| β | 102.4 ± 0.03° |
| γ | 110.63 ± 0.03° |
| Cell volume | 2113.5 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.1343 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1697 |
| Weighted residual factors for all reflections included in the refinement | 0.2284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287993 (current) | 2023-12-04 | cif/7/10/11/ Updated bibliographic information in entry 7101183. |
7101183.cif |
| 180113 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/11. |
7101183.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
7101183.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7101183.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7101183.cif |
| 91955 | 2013-12-31 | cod/ (saulius@koala.ibt.lt) Removing '_journal_page_first ?' data items from a bunch of COD CIFs so that the quastion mark does not appear in the COD SQL tables as a page number. |
7101183.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7101183.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7101183.cif |
| 271 | 2008-03-15 | Adding CIF files from the Chem-Comm-2006-20_48/ deposion. |
7101183.cif |
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