Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248039
Preview
Coordinates | 7248039.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H34 O |
---|---|
Calculated formula | C24 H34 O |
Title of publication | Direct <i>in situ</i> measurement of polymorphic transition temperatures under thermo-mechanochemical conditions. |
Authors of publication | Alić, Jasna; Lončarić, Ivor; Etter, Martin; Rubčić, Mirta; Štefanić, Zoran; Šekutor, Marina; Užarević, Krunoslav; Stolar, Tomislav |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 6 |
Pages of publication | 4840 - 4844 |
a | 7.7886 ± 0.0005 Å |
b | 10.8558 ± 0.0005 Å |
c | 11.3845 ± 0.0004 Å |
α | 76.757 ± 0.004° |
β | 84.981 ± 0.004° |
γ | 78.05 ± 0.005° |
Cell volume | 915.86 ± 0.08 Å3 |
Cell temperature | 296.69 ± 0.13 K |
Ambient diffraction temperature | 296.69 ± 0.13 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 | 0.1164 |
Residual factor for significantly intense reflections | 0.0914 |
Weighted residual factors for significantly intense reflections | 0.2734 |
Weighted residual factors for all reflections included in the refinement | 0.3245 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.428 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7248039.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.