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Information card for entry 1506220
Preview
| Coordinates | 1506220.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | pyran-2-one annulated tetrahelicene RI-2 |
|---|---|
| Formula | C21 H12 O2 |
| Calculated formula | C21 H12 O2 |
| SMILES | o1c2c(cc3ccc4c(c3c2)c2ccccc2cc4)ccc1=O |
| Title of publication | Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes. |
| Authors of publication | Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 21 |
| Pages of publication | 4891 - 4894 |
| a | 7.3419 ± 0.0007 Å |
| b | 24.75 ± 0.002 Å |
| c | 7.8224 ± 0.0007 Å |
| α | 90° |
| β | 107 ± 0.002° |
| γ | 90° |
| Cell volume | 1359.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0815 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1506220.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. |
1506220.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506220.cif |
| 48103 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506220, 1506221, 1506222, 1506223 via cif-deposit CGI script. |
1506220.cif |
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Users of the data should acknowledge the original authors of the
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