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Information card for entry 4116182
Preview
| Coordinates | 4116182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H17 N O2 |
|---|---|
| Calculated formula | C21 H17 N O2 |
| Title of publication | Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate |
| Authors of publication | Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2000 |
| Journal volume | 122 |
| Pages of publication | 10210 - 10211 |
| a | 11.453 ± 0.003 Å |
| b | 18.572 ± 0.005 Å |
| c | 8.107 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1724.4 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.044 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4116182.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4116182.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4116182.cif |
| 70761 | 2013-01-04 | cif/ Adding structures of 4116182 via cif-deposit CGI script. |
4116182.cif |
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