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Information card for entry 1506050
Preview
Coordinates | 1506050.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C7 H11 I2 N O |
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Calculated formula | C7 H11 I2 N O |
SMILES | IC1(I)CCCCC(=O)NC1 |
Title of publication | Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution. |
Authors of publication | Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 12 |
Pages of publication | 2647 - 2650 |
a | 8.0936 ± 0.0006 Å |
b | 10.7502 ± 0.0008 Å |
c | 23.5836 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2052 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0643 |
Residual factor for significantly intense reflections | 0.0565 |
Weighted residual factors for significantly intense reflections | 0.1377 |
Weighted residual factors for all reflections included in the refinement | 0.1424 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506050.cif |
176729 | 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. |
1506050.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506050.cif |
47956 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506050 via cif-deposit CGI script. |
1506050.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.