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Information card for entry 4104973
Preview
| Coordinates | 4104973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H34 O4 |
|---|---|
| Calculated formula | C36 H34 O4 |
| SMILES | c1(c2ccc(cc2)C=O)oc(c2ccc(cc2)c2c(cc(c3ccc(cc3)C=O)o2)CCCC)c(c1)CCCC |
| Title of publication | Polymeric Ladderphanes |
| Authors of publication | Chih-Ming Chou; Shern-Long Lee; Chih-Hsien Chen; Akkattu Thankappan Biju; Hsian-Wen Wang; Yi-Lin Wu; Guo-Fu Zhang; Kuang-Wei Yang; Tsong-Shin Lim; Min-Jie Huang; Po-Yu Tsai; Kin-Chuan Lin; Shou-Ling Huang; Chun-hsien Chen; Tien-Yau Luh |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 12579 - 12585 |
| a | 4.9495 ± 0.0004 Å |
| b | 11.5335 ± 0.0008 Å |
| c | 12.6368 ± 0.0009 Å |
| α | 105.023 ± 0.003° |
| β | 100.037 ± 0.003° |
| γ | 92.006 ± 0.004° |
| Cell volume | 683.61 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 all reflections | 0.1226 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.1834 |
| Weighted residual factors for all reflections included in the refinement | 0.2216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4104973.cif |
| 178795 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/49. |
4104973.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4104973.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104973.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104973.cif |
| 30150 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4104973 via cif-deposit CGI script. |
4104973.cif |
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Users of the data should acknowledge the original authors of the
structural data.