Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1507880
Preview
Coordinates | 1507880.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H36 F6 Mn N4 Sb |
---|---|
Calculated formula | C51 H36 F6 Mn N4 Sb |
SMILES | c12C(=c3ccc4=C(c5ccc6=C(c7ccccc7)c7ccc8C(=c(cc1)[n]2[Mn]([n]56)(n78)n34)c1ccccc1)c1ccccc1)c1ccccc1.F[Sb](F)(F)(F)([F-])F.c1(ccccc1)C |
Title of publication | Manganese porphyrin catalyzed cycloisomerization of enynes. |
Authors of publication | Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 12 |
Pages of publication | 3008 - 3011 |
a | 10.575 ± 0.004 Å |
b | 15.748 ± 0.007 Å |
c | 13.296 ± 0.006 Å |
α | 90° |
β | 99.848 ± 0.007° |
γ | 90° |
Cell volume | 2181.6 ± 1.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0743 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1567 |
Weighted residual factors for all reflections included in the refinement | 0.1678 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
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. |
1507880.cif |
113511 | 2014-05-13 | cif/ Updating files of 1507880, 1507881 Original log message: Adding full bibliography for 1507880--1507881.cif. |
1507880.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507880.cif |
62366 | 2012-07-07 | cif/ Adding structures of 1507880 via cif-deposit CGI script. |
1507880.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.