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Information card for entry 8102638
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| Coordinates | 8102638.cif |
|---|---|
| External links | PubChem |
| Common name | 4^4^,15^4^,25^4^,30^4^-tetraoxy-1,7,12,18-tetra-aza–3,14,24,29-\ tetramethylbenzena-tetracyclo |
|---|---|
| Chemical name | 4^4^,15^4^,25^4^,30^4^-tetraoxy-1,7,12,18-tetra-aza–3,14,24,29-\ tetramethylbenzena-tetracyclo |
| Formula | C44 H56 N4 O4 |
| Calculated formula | C44 H56 N4 O4 |
| Title of publication | Crystal structure of 7,15,23,31-tetramethyl-3,11,19,27-tetraazopentacyclo[27.16.1611.27.4.411.27.3.35.9.313.17.321.25.1.15.9.113.17.121.25]triaconta-1(32),5,7,9(34),13,15,17(35),21,23,25(36),29(33),30-dodecaarene-33,34,35,36-tetraol, C44H56N4O4 |
| Authors of publication | Wei-Jie Gong; Jin Yang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 2 |
| Pages of publication | 241 |
| a | 23.2157 ± 0.0016 Å |
| b | 14.0445 ± 0.0009 Å |
| c | 13.0638 ± 0.001 Å |
| α | 90° |
| β | 118.413 ± 0.009° |
| γ | 90° |
| Cell volume | 3746.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2135 |
| Residual factor for significantly intense reflections | 0.0757 |
| Weighted residual factors for significantly intense reflections | 0.1596 |
| Weighted residual factors for all reflections included in the refinement | 0.186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102638.cif |
| 176728 | 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 8. |
8102638.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102638.cif |
| 13377 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102638 via cif-deposit CGI script. |
8102638.cif |
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