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Information card for entry 2239511
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| Coordinates | 2239511.cif |
|---|---|
| Structure factors | 2239511.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Heptacyclo[21.13.1.1^5,19^.1^6,18^.1^10,14^.1^24,36^.1^28,32^]dotetraconta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodecaene‒ethenetetracarbonitrile (1/2) |
|---|---|
| Formula | C54 H48 N8 |
| Calculated formula | C54 H48 N8 |
| Title of publication | Four-layered [3.3]metacyclophane with ethenetetracarbonitrile |
| Authors of publication | Shibahara, Masahiko; Watanabe, Motonori; Goto, Kenta; Shinmyozu, Teruo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o625 - o626 |
| a | 9.563 ± 0.003 Å |
| b | 10.101 ± 0.004 Å |
| c | 11.679 ± 0.004 Å |
| α | 96.365 ± 0.014° |
| β | 99.134 ± 0.013° |
| γ | 107.683 ± 0.013° |
| Cell volume | 1045.9 ± 0.6 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.1782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239511.cif 2239511.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239511.cif 2239511.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239511.cif 2239511.hkl |
| 112428 | 2014-05-01 | cif/ hkl/ Adding structures of 2239511 via cif-deposit CGI script. |
2239511.cif 2239511.hkl |
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