Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236223
Preview
Coordinates | 7236223.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H21 F2 N5 O2 |
---|---|
Calculated formula | C30 H21 F2 N5 O2 |
Title of publication | An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction |
Authors of publication | Behbehani, Haider; Ibrahim, Hamada Mohamed |
Journal of publication | RSC Advances |
Year of publication | 2016 |
Journal volume | 6 |
Journal issue | 58 |
Pages of publication | 52700 |
a | 16.9635 ± 0.0011 Å |
b | 22.4316 ± 0.0007 Å |
c | 13.2574 ± 0.0004 Å |
α | 90° |
β | 98.895 ± 0.007° |
γ | 90° |
Cell volume | 4984 ± 0.4 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for all reflections included in the refinement | 0.1437 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
235284 (current) | 2019-11-23 | cif/ Adding structures of 7236221, 7236222, 7236223, 7236224 via cif-deposit CGI script. |
7236223.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.