Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503728
Preview
Coordinates | 1503728.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46.6 H46.6 Cl1.8 N2 Pd |
---|---|
Calculated formula | C46 H46 N2 Pd |
Title of publication | adj-Diazuliporphyrins, a new family of dicarbaporphyrinoids with unprecedented mesoionic characteristics. |
Authors of publication | Zhang, Zhenjun; Ferrence, Gregory M.; Lash, Timothy D. |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 1 |
Pages of publication | 101 - 104 |
a | 14.6447 ± 0.0017 Å |
b | 14.9621 ± 0.0017 Å |
c | 18.886 ± 0.002 Å |
α | 93.9934 ± 0.0017° |
β | 109.874 ± 0.002° |
γ | 90.8206 ± 0.0017° |
Cell volume | 3879.1 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0626 |
Weighted residual factors for all reflections included in the refinement | 0.171 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1503728.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503728.cif |
39026 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503727, 1503728 via cif-deposit CGI script. |
1503728.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.