Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573065
Preview
| Coordinates | 1573065.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 I O5 |
|---|---|
| Calculated formula | C18 H21 I O5 |
| SMILES | Ic1c(C=O)ccc(c1O[C@H]1CCCC=C1CC(=O)OCC)OC |
| Title of publication | Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine. |
| Authors of publication | Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 47 |
| Pages of publication | 19851 - 19857 |
| a | 13.1948 ± 0.0003 Å |
| b | 4.7605 ± 0.0001 Å |
| c | 14.5444 ± 0.0004 Å |
| α | 90° |
| β | 102.504 ± 0.003° |
| γ | 90° |
| Cell volume | 891.92 ± 0.04 Å3 |
| Cell temperature | 99.98 ± 0.11 K |
| Ambient diffraction temperature | 99.98 ± 0.11 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0323 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296342 (current) | 2024-12-06 | cif/ Updating files of 1573064, 1573065, 1573066 Original log message: Adding full bibliography for 1573064--1573066.cif. |
1573065.cif |
| 295782 | 2024-11-06 | cif/ Adding structures of 1573064, 1573065, 1573066 via cif-deposit CGI script. |
1573065.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.