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Information card for entry 7155962
Preview
| Coordinates | 7155962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H52 N6 O6 |
|---|---|
| Calculated formula | C27 H52 N6 O6 |
| Title of publication | A Modular Approach Towards Functionalized Highly Stable Self-complementary Quadruple Hydrogen Bonded Systems |
| Authors of publication | Rayavarapu, Suresh; Kheria, Sanjeev; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, G. J. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2017 |
| a | 8.5829 ± 0.0013 Å |
| b | 9.4082 ± 0.0014 Å |
| c | 19.835 ± 0.003 Å |
| α | 91.627 ± 0.004° |
| β | 102.132 ± 0.004° |
| γ | 101.559 ± 0.005° |
| Cell volume | 1530 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1043 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.1639 |
| Weighted residual factors for all reflections included in the refinement | 0.1742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203032 (current) | 2017-11-10 | cif/ Adding structures of 7155961, 7155962, 7155963 via cif-deposit CGI script. |
7155962.cif |
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Users of the data should acknowledge the original authors of the
structural data.