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Information card for entry 4515137
Preview
| Coordinates | 4515137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H24 O |
|---|---|
| Calculated formula | C29 H24 O |
| SMILES | c1(cccc2ccccc12)C(c1cccc2ccccc12)O[C@H](C)c1ccccc1 |
| Title of publication | Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols. |
| Authors of publication | Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin |
| Journal of publication | ACS omega |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 2 |
| Pages of publication | 3244 - 3256 |
| a | 7.67545 ± 0.00013 Å |
| b | 10.23967 ± 0.00017 Å |
| c | 26.7674 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2103.76 ± 0.06 Å3 |
| Cell temperature | 130 ± 0.14 K |
| Ambient diffraction temperature | 130 ± 0.14 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4515137.cif |
| 220248 | 2019-10-28 | cif/ Adding structures of 4515134, 4515135, 4515136, 4515137, 4515138 via cif-deposit CGI script. |
4515137.cif |
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Users of the data should acknowledge the original authors of the
structural data.