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Information card for entry 1507144
Preview
| Coordinates | 1507144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H19 N O7 |
|---|---|
| Calculated formula | C32 H19 N O7 |
| Title of publication | One-Pot Synthesis of Pyranocoumarins via Microwave-Assisted Pseudo Multicomponent Reactions and Their Molecular Switching Properties. |
| Authors of publication | Li, Kuan-Ting; Lin, Yong-Bo; Yang, Ding-Yah |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 1190 - 1193 |
| a | 14.0644 ± 0.0012 Å |
| b | 15.0979 ± 0.0012 Å |
| c | 15.2279 ± 0.0012 Å |
| α | 108.301 ± 0.002° |
| β | 91.149 ± 0.002° |
| γ | 114.384 ± 0.002° |
| Cell volume | 2753.9 ± 0.4 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.1234 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| 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. |
1507144.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. |
1507144.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507144.cif |
| 51876 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507144 via cif-deposit CGI script. |
1507144.cif |
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Users of the data should acknowledge the original authors of the
structural data.