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Information card for entry 7236222
Preview
| Coordinates | 7236222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3s |
|---|---|
| Formula | C30 H29 Cl2 N7 O3 S3 |
| Calculated formula | C30 H29 Cl2 N7 O3 S3 |
| Title of publication | An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction |
| Authors of publication | Behbehani, Haider; Ibrahim, Hamada Mohamed |
| Journal of publication | RSC Advances |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 58 |
| Pages of publication | 52700 |
| a | 25.9316 ± 0.0014 Å |
| b | 10.1997 ± 0.0006 Å |
| c | 25.1998 ± 0.0018 Å |
| α | 90° |
| β | 104.459 ± 0.007° |
| γ | 90° |
| Cell volume | 6454.1 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.1551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235284 (current) | 2019-11-23 | cif/ Adding structures of 7236221, 7236222, 7236223, 7236224 via cif-deposit CGI script. |
7236222.cif |
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Users of the data should acknowledge the original authors of the
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