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Information card for entry 4518036
Preview
| Coordinates | 4518036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H60 N4 O4 |
|---|---|
| Calculated formula | C68 H60 N4 O4 |
| Title of publication | Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides. |
| Authors of publication | Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu |
| Journal of publication | ACS omega |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 37 |
| Pages of publication | 24033 - 24044 |
| a | 9.364 ± 0.0004 Å |
| b | 12.4629 ± 0.0004 Å |
| c | 12.6747 ± 0.0003 Å |
| α | 105.516 ± 0.002° |
| β | 102.852 ± 0.003° |
| γ | 102.045 ± 0.003° |
| Cell volume | 1331.73 ± 0.09 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1021 |
| Residual factor for significantly intense reflections | 0.0892 |
| Weighted residual factors for significantly intense reflections | 0.2384 |
| Weighted residual factors for all reflections included in the refinement | 0.2479 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257064 (current) | 2020-10-04 | cif/ Updating files of 4518035, 4518036 Original log message: Adding full bibliography for 4518035--4518036.cif. |
4518036.cif |
| 256351 | 2020-09-12 | cif/ Adding structures of 4518036 via cif-deposit CGI script. |
4518036.cif |
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Users of the data should acknowledge the original authors of the
structural data.