Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1501599
Preview
Coordinates | 1501599.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C109 H180 N24 O20 |
---|---|
Calculated formula | C109 H180 N24 O20 |
Title of publication | Molecular Tectonics. Disruption of Self-Association in Melts Derived from Hydrogen-Bonded Solids |
Authors of publication | Danielle Boils; Marie-Eve Perron; Francis Monchamp; Hugues Duval; Thierry Maris; James D. Wuest |
Journal of publication | Macromolecules |
Year of publication | 2004 |
Journal volume | 37 |
Pages of publication | 7351 - 7357 |
a | 11.8715 ± 0.0003 Å |
b | 11.8715 ± 0.0003 Å |
c | 40.004 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5637.9 ± 0.3 Å3 |
Cell temperature | 226 ± 2 K |
Ambient diffraction temperature | 226 ± 2 K |
Number of distinct elements | 4 |
Space group number | 82 |
Hermann-Mauguin space group symbol | I -4 |
Hall space group symbol | I -4 |
Residual factor for all reflections | 0.0876 |
Residual factor for significantly intense reflections | 0.0868 |
Weighted residual factors for significantly intense reflections | 0.2183 |
Weighted residual factors for all reflections included in the refinement | 0.2195 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501599.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501599.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501599.cif |
26821 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501599 via cif-deposit CGI script. |
1501599.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.