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Information card for entry 1555335
Preview
| Coordinates | 1555335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H46 F12 N6 Ni O16 S4 |
|---|---|
| Calculated formula | C51 H46 F11.735 N6 Ni O15.735 S4 |
| Title of publication | Catalytic Asymmetric Nazarov Cyclization of Heteroaryl Vinyl Ketones through a Crystallographically Defined Chiral Dinuclear Nickel Complex. |
| Authors of publication | Takeda, Takuya; Harada, Shinji; Nishida, Atsushi |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5184 - 5187 |
| a | 13.6455 ± 0.0003 Å |
| b | 18.1359 ± 0.0005 Å |
| c | 24.9551 ± 0.0006 Å |
| α | 90° |
| β | 104.465 ± 0.0011° |
| γ | 90° |
| Cell volume | 5979.9 ± 0.3 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.3164 |
| Residual factor for significantly intense reflections | 0.1394 |
| Weighted residual factors for significantly intense reflections | 0.328 |
| Weighted residual factors for all reflections included in the refinement | 0.454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238504 (current) | 2019-11-24 | cif/ Adding structures of 1555335 via cif-deposit CGI script. |
1555335.cif |
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Users of the data should acknowledge the original authors of the
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