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Information card for entry 7160492
Preview
| Coordinates | 7160492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H30 N4 O4 |
|---|---|
| Calculated formula | C33 H30 N4 O4 |
| Title of publication | Recognition of GC base pairs of B-DNA by coumarin-based benzimidazopyrimidines. |
| Authors of publication | Sadhukhan, Juheli; Mandal, Pabitra; Pramanik, Smritimoy; Guria, Subhajit; Kabir, Alomgir Shah; Das, Debojyoti; Adhikari, Susanta Sekhar |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 7.2081 ± 0.0014 Å |
| b | 10.733 ± 0.002 Å |
| c | 18.339 ± 0.004 Å |
| α | 95.812 ± 0.007° |
| β | 91.348 ± 0.006° |
| γ | 93.311 ± 0.006° |
| Cell volume | 1408.5 ± 0.5 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 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 | 0.0566 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1362 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299229 (current) | 2025-04-09 | cif/ Adding structures of 7160492 via cif-deposit CGI script. |
7160492.cif |
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Users of the data should acknowledge the original authors of the
structural data.