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Information card for entry 1501601
Preview
| Coordinates | 1501601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C54 H66 O21 S6 |
|---|---|
| Calculated formula | C54 H66 O21 S6 |
| SMILES | S(=O)(=O)(OCC(COCC(COS(=O)(=O)c1ccc(cc1)C)(COS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C)(COS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C.OC.OC |
| Title of publication | Molecular Tectonics. Dendritic Construction of Porous Hydrogen-Bonded Networks |
| Authors of publication | Laliberté, Dominic; Maris, Thierry; Sirois, Ariane; Wuest, James D. |
| Journal of publication | Organic Letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 25 |
| Pages of publication | 4787 - 4790 |
| a | 14.1959 ± 0.0019 Å |
| b | 14.724 ± 0.002 Å |
| c | 17.312 ± 0.002 Å |
| α | 67.503 ± 0.003° |
| β | 67.112 ± 0.004° |
| γ | 88.948 ± 0.004° |
| Cell volume | 3043.6 ± 0.7 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 | 0.0929 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1519 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219237 (current) | 2019-10-10 | cif/1/50/16/ Updated bibliographic information in entries 1501600-1501601. |
1501601.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. |
1501601.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. |
1501601.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501601.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501601.cif |
| 26822 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501600, 1501601 via cif-deposit CGI script. |
1501601.cif |
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Users of the data should acknowledge the original authors of the
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