Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575554
Preview
Coordinates | 1575554.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H64 Al2 N4 |
---|---|
Calculated formula | C42 H64 Al2 N4 |
Title of publication | Synthesis, properties, and chemoselective reactions of an AlH–BH functional group |
Authors of publication | Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R. |
Journal of publication | Chemical Science |
Year of publication | 2025 |
a | 13.63125 ± 0.00014 Å |
b | 20.16105 ± 0.00019 Å |
c | 15.3157 ± 0.00014 Å |
α | 90° |
β | 99.9088 ± 0.0009° |
γ | 90° |
Cell volume | 4146.28 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0555 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
301923 (current) | 2025-08-29 | cif/ Adding structures of 1575552, 1575553, 1575554, 1575555, 1575556 via cif-deposit CGI script. |
1575554.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.