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Information card for entry 1575065
Preview
| Coordinates | 1575065.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 B N2 O2 |
|---|---|
| Calculated formula | C26 H19 B N2 O |
| Title of publication | Boron-Centered Compounds: Exploring the Optical Properties of Spiro Derivatives with Imidazo[1,5-<i>a</i>]Pyridines. |
| Authors of publication | Cinco, Anita; Ardizzoia, G. Attilio; Brenna, Stefano; Therrien, Bruno; Colombo, Gioele |
| Journal of publication | Molecules (Basel, Switzerland) |
| Year of publication | 2025 |
| Journal volume | 30 |
| Journal issue | 12 |
| Pages of publication | 2552 |
| a | 26.6167 ± 0.0005 Å |
| b | 26.6167 ± 0.0005 Å |
| c | 11.781 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8346.2 ± 0.3 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0536 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301199 (current) | 2025-07-07 | cif/ Adding structures of 1575065 via cif-deposit CGI script. |
1575065.cif |
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Users of the data should acknowledge the original authors of the
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