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Information card for entry 1507246
Preview
| Coordinates | 1507246.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C34 H36 Cl4 O8 |
|---|---|
| Calculated formula | C34 H36 Cl4 O8 |
| SMILES | O(c1c2c(c(OC)cc1)c1c(OC)ccc(OC)c1c1c(OC)ccc(OC)c1c1c(OC)ccc(OC)c21)C.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Synthesis and studies of 1,4,5,8,9,12,13,16-octamethoxytetraphenylene. |
| Authors of publication | Lai, Chun Wing; Lam, Chi Keung; Lee, Hung Kay; Mak, Thomas C. W.; Wong, Henry N. C. |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 6 |
| Pages of publication | 823 - 826 |
| a | 9.46 ± 0.002 Å |
| b | 12.892 ± 0.003 Å |
| c | 15.324 ± 0.003 Å |
| α | 90.929 ± 0.005° |
| β | 104.42 ± 0.005° |
| γ | 110.95 ± 0.004° |
| Cell volume | 1678.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1297 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.805 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507246.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507246.cif |
| 176729 | 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 1. |
1507246.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507246.cif |
| 53766 | 2012-04-20 | cif/ Adding structures of 1507246 via cif-deposit CGI script. |
1507246.cif |
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Users of the data should acknowledge the original authors of the
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