Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4028701
Preview
Coordinates | 4028701.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H59 N4 O2 |
---|---|
Calculated formula | C39 H59 N4 O2 |
Title of publication | Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines |
Authors of publication | Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 10692 - 10704 |
a | 10.7783 ± 0.0006 Å |
b | 31.1615 ± 0.0016 Å |
c | 11.9415 ± 0.0007 Å |
α | 90° |
β | 113.234 ± 0.007° |
γ | 90° |
Cell volume | 3685.5 ± 0.4 Å3 |
Cell temperature | 121.16 ± 0.1 K |
Ambient diffraction temperature | 121.16 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.1414 |
Residual factor for significantly intense reflections | 0.0747 |
Weighted residual factors for significantly intense reflections | 0.1524 |
Weighted residual factors for all reflections included in the refinement | 0.1875 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178466 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/87. |
4028701.cif |
94938 | 2014-01-28 | cif/ Adding structures of 4028701 via cif-deposit CGI script. |
4028701.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.