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Information card for entry 7227669
Preview
| Coordinates | 7227669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H22 O8 |
|---|---|
| Calculated formula | C34 H22 O8 |
| SMILES | c1(cc(c2ccc(cc2)C(=O)O)c(cc1c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O |
| Title of publication | Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems |
| Authors of publication | Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 19.4377 ± 0.0015 Å |
| b | 30.6822 ± 0.0012 Å |
| c | 9.1127 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5434.7 ± 0.7 Å3 |
| Cell temperature | 253 K |
| Ambient diffraction temperature | 253 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.172 |
| Residual factor for significantly intense reflections | 0.1026 |
| Weighted residual factors for significantly intense reflections | 0.3133 |
| Weighted residual factors for all reflections included in the refinement | 0.3439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.36 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191959 (current) | 2017-02-10 | cif/ Adding structures of 7227667, 7227668, 7227669 via cif-deposit CGI script. |
7227669.cif |
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Users of the data should acknowledge the original authors of the
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