Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4509132
Preview
Coordinates | 4509132.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H54 N4 O6 |
---|---|
Calculated formula | C56 H51 N4 O6 |
SMILES | c1(c(ccc2ccccc12)C(=O)[O-])c1c(ccc2ccccc12)C(=O)[O-].c1cccc2C3c4ccccc4C(c12)[C@H]([C@@H]3[NH3+])N.c1cccc2C3c4ccccc4C(c12)[C@H]([C@@H]3[NH3+])N.O.OCC |
Title of publication | Formation and Crystal Structure of Two-Component Host System Having Helical Chirality and Comprising 9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine and 1,1′-Binaphthyl-2,2′-dicarboxylic Acid |
Authors of publication | Imai, Yoshitane; Murata, Katuzo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 1 |
Pages of publication | 602 |
a | 12.9155 ± 0.0009 Å |
b | 14.2194 ± 0.001 Å |
c | 25.2284 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4633.2 ± 0.6 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0783 |
Residual factor for significantly intense reflections | 0.0639 |
Weighted residual factors for significantly intense reflections | 0.138 |
Weighted residual factors for all reflections included in the refinement | 0.145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4509132.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.