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Information card for entry 1506855
Preview
| Coordinates | 1506855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H12 N2 O S |
|---|---|
| Calculated formula | C10 H12 N2 O S |
| SMILES | s1cc(CCNC(=O)[C@@H]([N]#[C])C)cc1 |
| Title of publication | Electroformed Giant Vesicles from Thiophene-Containing Rod−Coil Diblock Copolymers |
| Authors of publication | Vriezema, Dennis M.; Kros, Alexander; de Gelder, René; Cornelissen, Jeroen J. L. M.; Rowan, Alan E.; Nolte, Roeland J. M. |
| Journal of publication | Macromolecules |
| Year of publication | 2004 |
| Journal volume | 37 |
| Journal issue | 12 |
| Pages of publication | 4736 |
| a | 4.7799 ± 0.0006 Å |
| b | 9.3152 ± 0.0009 Å |
| c | 24.7353 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1101.36 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1477 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections | 0.1728 |
| Weighted residual factors for significantly intense reflections | 0.1336 |
| Weighted residual factors for all reflections included in the refinement | 0.1728 |
| Goodness-of-fit parameter for all reflections | 1.035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1506855.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. |
1506855.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506855.cif |
| 51493 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506855 via cif-deposit CGI script. |
1506855.cif |
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Users of the data should acknowledge the original authors of the
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