Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242340
Preview
Coordinates | 7242340.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H17 O4.5 |
---|---|
Calculated formula | C8 H17 O4.5 |
SMILES | [C@@H]1(CC[C@H]([C@H]([C@H]([C@@H]1O)O)O)O)C.O |
Title of publication | Synthesis of novel seven-membered carbasugars and evaluation of their glycosidase inhibition potentials |
Authors of publication | Athiyarath, Vignesh; Roy, Naveen J.; Vijil, A. T. V.; Sureshan, Kana M. |
Journal of publication | RSC Advances |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 16 |
Pages of publication | 9410 - 9420 |
a | 14.4368 ± 0.0011 Å |
b | 4.9452 ± 0.0004 Å |
c | 12.9747 ± 0.001 Å |
α | 90° |
β | 94.74 ± 0.004° |
γ | 90° |
Cell volume | 923.13 ± 0.12 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0663 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.1522 |
Weighted residual factors for all reflections included in the refinement | 0.157 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7242340.cif |
262379 | 2021-03-03 | cif/ Adding structures of 7242340, 7242341 via cif-deposit CGI script. |
7242340.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.