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Information card for entry 1554334
Preview
| Coordinates | 1554334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H10 Cl0.07 Fe N O |
|---|---|
| Calculated formula | C9.06667 H9.06667 Cl0.8 Fe0.266667 N0.8 O1.06667 |
| Title of publication | Application of organocatalysis in bioorganometallic chemistry: asymmetric synthesis of multifunctionalized spirocyclic pyrazolone‒ferrocene hybrids as novel RalA inhibitors |
| Authors of publication | Zhang, Yuehua; Wang, Chunting; Huang, Wei; Haruehanroengra, Phensinee; Peng, Cheng; Sheng, Jia; Han, Bo; He, Gu |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 14 |
| Pages of publication | 2229 |
| a | 9.5467 ± 0.0009 Å |
| b | 13.5703 ± 0.0018 Å |
| c | 26.06 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3376.1 ± 0.6 Å3 |
| Cell temperature | 294.24 ± 0.1 K |
| Ambient diffraction temperature | 294.24 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.079 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1643 |
| Weighted residual factors for all reflections included in the refinement | 0.1774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| 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 |
|---|---|---|---|
| 237136 (current) | 2019-11-24 | cif/ Adding structures of 1554334, 1554335 via cif-deposit CGI script. |
1554334.cif |
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Users of the data should acknowledge the original authors of the
structural data.