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Information card for entry 1501608
Preview
Coordinates | 1501608.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C14 H15 N5 |
---|---|
Calculated formula | C14 H15 N5 |
SMILES | N(c1ccccc1)C(=N\C(=N\c1ccccc1)\N)\N |
Title of publication | A practical guide to arylbiguanides — Synthesis and structural characterization |
Authors of publication | Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest |
Journal of publication | Can. J. Chem. |
Year of publication | 2005 |
Journal volume | 83 |
Pages of publication | 615 - 625 |
a | 9.0317 ± 0.0003 Å |
b | 6.3945 ± 0.0002 Å |
c | 22.5874 ± 0.0008 Å |
α | 90° |
β | 99.588 ± 0.002° |
γ | 90° |
Cell volume | 1286.27 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0745 |
Residual factor for significantly intense reflections | 0.0673 |
Weighted residual factors for significantly intense reflections | 0.1525 |
Weighted residual factors for all reflections included in the refinement | 0.1551 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
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. |
1501608.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. |
1501608.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501608.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501608.cif |
26831 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501607, 1501608 via cif-deposit CGI script. |
1501608.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.