Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1501600
Preview
| Coordinates | 1501600.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C136 H216 N30 O43 S4 |
|---|---|
| Calculated formula | C80 H104 N30 O15 S4 |
| SMILES | O1CCOCC1.O1CCOCC1.Nc1nc(nc(n1)N)c1ccc(cc1)OCC(COc1ccc(cc1)c1nc(N)nc(n1)N)(COc1ccc(cc1)c1nc(N)nc(n1)N)COCC(COc1ccc(cc1)c1nc(N)nc(n1)N)(COc1ccc(cc1)c1nc(N)nc(n1)N)COc1ccc(cc1)c1nc(N)nc(n1)N.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C |
| 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 | 19.758 ± 0.0012 Å |
| b | 10.8646 ± 0.0007 Å |
| c | 36.649 ± 0.002 Å |
| α | 90° |
| β | 90.759 ± 0.003° |
| γ | 90° |
| Cell volume | 7866.5 ± 0.8 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1337 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for significantly intense reflections | 0.2195 |
| Weighted residual factors for all reflections included in the refinement | 0.2326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
1501600.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. |
1501600.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501600.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501600.cif |
| 26822 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501600, 1501601 via cif-deposit CGI script. |
1501600.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.