Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4114985
Preview
Coordinates | 4114985.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H16 F2 O4 |
---|---|
Calculated formula | C20 H16 F2 O4 |
Title of publication | Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions |
Authors of publication | Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 8891 - 8902 |
a | 11.459 ± 0.005 Å |
b | 4.112 ± 0.006 Å |
c | 18.704 ± 0.005 Å |
α | 90° |
β | 96.45 ± 0.03° |
γ | 90° |
Cell volume | 875.7 ± 1.4 Å3 |
Cell temperature | 296.1 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 significantly intense reflections | 0.05 |
Weighted residual factors for all reflections included in the refinement | 0.078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4114985.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114985.cif |
68369 | 2012-10-25 | cif/ Adding structures of 4114985 via cif-deposit CGI script. |
4114985.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.