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Information card for entry 1501611
Preview
| Coordinates | 1501611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H56 N4 O12 Si |
|---|---|
| Calculated formula | C44 H56 N4 O12 Si |
| SMILES | [Si](c1ccc(NC(=O)OCC)cc1)(c1ccc(NC(=O)OCC)cc1)(c1ccc(NC(=O)OCC)cc1)c1ccc(NC(=O)OCC)cc1.O1CCOCC1.O1CCOCC1 |
| Title of publication | Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks |
| Authors of publication | Dominic Laliberté; Thierry Maris; James D. Wuest |
| Journal of publication | Can. J. Chem. |
| Year of publication | 2004 |
| Journal volume | 82 |
| Pages of publication | 386 - 398 |
| a | 17.7781 ± 0.0002 Å |
| b | 17.7781 ± 0.0002 Å |
| c | 7.1904 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2272.6 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0879 |
| Residual factor for significantly intense reflections | 0.0724 |
| Weighted residual factors for significantly intense reflections | 0.2024 |
| Weighted residual factors for all reflections included in the refinement | 0.216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1501611.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. |
1501611.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501611.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501611.cif |
| 26832 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501609, 1501610, 1501611, 1501612, 1501613, 1501614 via cif-deposit CGI script. |
1501611.cif |
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