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Information card for entry 7224319
Preview
| Coordinates | 7224319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H12 N2 O3 S |
|---|---|
| Calculated formula | C19 H12 N1.99 O2.94 S |
| Title of publication | One-pot protocol for J-aggregated anthraimidazolediones catalyzed by phosphotungstic acid in PEG-400 under aerobic condition |
| Authors of publication | Bhattacharyya,, Bhaswati; Kundu, Arijit; Das, Aniruddha; Dhara, Kaliprasanna; Guchhait, Nikhil |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 12.513 ± 0.005 Å |
| b | 14.98 ± 0.006 Å |
| c | 8.251 ± 0.004 Å |
| α | 90° |
| β | 92.583 ± 0.014° |
| γ | 90° |
| Cell volume | 1545 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1477 |
| Residual factor for significantly intense reflections | 0.122 |
| Weighted residual factors for significantly intense reflections | 0.3602 |
| Weighted residual factors for all reflections included in the refinement | 0.3787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.488 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176751 (current) | 2016-02-19 | cif/ Adding structures of 7224319 via cif-deposit CGI script. |
7224319.cif |
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Users of the data should acknowledge the original authors of the
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