Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248191
Preview
Coordinates | 7248191.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H12 O8 |
---|---|
Calculated formula | C11 H12 O8 |
Title of publication | Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns |
Authors of publication | Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 14 |
Pages of publication | 1952 - 1961 |
a | 7.1276 ± 0.0008 Å |
b | 7.5031 ± 0.0008 Å |
c | 11.3065 ± 0.0013 Å |
α | 98.614 ± 0.006° |
β | 105.39 ± 0.007° |
γ | 105.364 ± 0.007° |
Cell volume | 546.17 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1111 |
Residual factor for significantly intense reflections | 0.0797 |
Weighted residual factors for significantly intense reflections | 0.2047 |
Weighted residual factors for all reflections included in the refinement | 0.2305 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7248191.html
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.