Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551304
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1551304.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | HCO-(Adm)3-NHiPr |
---|---|
Formula | C37 H54 N4 O4 |
Calculated formula | C37 H54 N4 O4 |
SMILES | C(=O)NC1(C2CC3CC1CC(C2)C3)C(=O)NC1(C2CC3CC1CC(C2)C3)C(=O)NC1(C2CC3CC1CC(C2)C3)C(=O)NC(C)C |
Title of publication | Isolated α-turn and incipient γ-helix |
Authors of publication | M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D. |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 14.6463 ± 0.0006 Å |
b | 14.7404 ± 0.0006 Å |
c | 16.1538 ± 0.0007 Å |
α | 90° |
β | 109.735 ± 0.002° |
γ | 90° |
Cell volume | 3282.6 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0655 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1017 |
Weighted residual factors for all reflections included in the refinement | 0.1134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
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/1551304.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.