Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238095
Preview
Coordinates | 7238095.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol |
---|---|
Chemical name | (4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol |
Formula | C14 H20 O4 |
Calculated formula | C14 H20 O4 |
Title of publication | Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol |
Authors of publication | Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam |
Journal of publication | CrystEngComm |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 65 |
Pages of publication | 398 |
a | 6.7802 ± 0.0009 Å |
b | 6.7802 ± 0.0009 Å |
c | 27.425 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1260.8 ± 0.4 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 3 |
Space group number | 76 |
Hermann-Mauguin space group symbol | P 41 |
Hall space group symbol | P 4w |
Residual factor for all reflections | 0.0436 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.0986 |
Weighted residual factors for all reflections included in the refinement | 0.0993 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.224 |
Diffraction radiation probe | x-ray |
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/7238095.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.