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Information card for entry 4115730
Preview
| Coordinates | 4115730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H31 N2 O3.5 |
|---|---|
| Calculated formula | C25 H31 N2 O3.5 |
| Title of publication | Metal Ion-Catalyzed Cycloaddition vs Hydride Transfer Reactions of NADH Analogues with p-Benzoquinones |
| Authors of publication | Shunichi Fukuzumi; Yoshinori Fujii; Tomoyoshi Suenobu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 10191 - 10199 |
| a | 28.519 ± 0.008 Å |
| b | 14.996 ± 0.003 Å |
| c | 10.628 ± 0.003 Å |
| α | 90° |
| β | 96.35 ± 0.03° |
| γ | 90° |
| Cell volume | 4517 ± 2 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.86 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4115730.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115730.cif |
| 69454 | 2012-12-18 | cif/ Adding structures of 4115730 via cif-deposit CGI script. |
4115730.cif |
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Users of the data should acknowledge the original authors of the
structural data.