Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1569850
Preview
Coordinates | 1569850.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | <i>N</i>,<i>N</i>'-[1,4-Phenylenebis(iminocarbonyl)]bis(<i>L</i>-phenylalanine) tetrahydrofuran disolvate |
---|---|
Formula | C34 H42 N4 O8 |
Calculated formula | C34 H42 N4 O8 |
Title of publication | N,N′-[1,4-Phenylenebis(iminocarbonyl)]bis(L-phenylalanine) tetrahydrofuran disolvate |
Authors of publication | Stapf, Manuel; Schwarzer, Anke |
Journal of publication | IUCrData |
Year of publication | 2023 |
Journal volume | 8 |
Journal issue | 9 |
a | 13.632 ± 0.004 Å |
b | 13.632 ± 0.004 Å |
c | 17.507 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3253.4 ± 1.8 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 K |
Number of distinct elements | 4 |
Space group number | 80 |
Hermann-Mauguin space group symbol | I 41 |
Hall space group symbol | I 4bw |
Residual factor for all reflections | 0.0446 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
286290 (current) | 2023-09-09 | cif/ Adding structures of 1569850 via cif-deposit CGI script. |
1569850.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.