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Information card for entry 7152048
Preview
| Coordinates | 7152048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1-phenyl-5,6-dihydro-1H-benzo[f]chromen -3(2H)-one |
|---|---|
| Formula | C19 H16 O2 |
| Calculated formula | C19 H16 O2 |
| SMILES | O1C(=O)C[C@@H](c2ccccc2)C2=C1CCc1c2cccc1 |
| Title of publication | Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes. |
| Authors of publication | Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 21 |
| Pages of publication | 7510 - 7516 |
| a | 5.935 ± 0.0001 Å |
| b | 14.0588 ± 0.0003 Å |
| c | 17.2947 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1443.05 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0745 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152048.cif |
| 180306 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/20. |
7152048.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152048.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7152048.cif |
| 30119 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7152047, 7152048 via cif-deposit CGI script. |
7152048.cif |
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