Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239032
Preview
Coordinates | 7239032.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H38 O |
---|---|
Calculated formula | C41 H35 O |
Title of publication | Synthesis of cyclopentadienyl alkyl ethers via Pd-catalyzed cyclotrimerization of diarylacetylenes |
Authors of publication | Cai, Ranran; Huang, Mengmeng; Cui, Xiuling; Zhang, Jianye; Du, Chenxia; Wu, Yusheng; Wu, Yangjie |
Journal of publication | RSC Advances |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 32 |
Pages of publication | 13140 |
a | 19.936 ± 0.0009 Å |
b | 7.9365 ± 0.0003 Å |
c | 25.6157 ± 0.0014 Å |
α | 90° |
β | 127.958 ± 0.003° |
γ | 90° |
Cell volume | 3195.6 ± 0.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291.15 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0951 |
Residual factor for significantly intense reflections | 0.0764 |
Weighted residual factors for significantly intense reflections | 0.2249 |
Weighted residual factors for all reflections included in the refinement | 0.2499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244514 (current) | 2019-11-28 | cif/ Adding structures of 7239031, 7239032, 7239033 via cif-deposit CGI script. |
7239032.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.