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Information card for entry 7150585
Preview
Coordinates | 7150585.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C9 H13 I N2 O |
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Calculated formula | C9 H13 I N2 O |
SMILES | CC(=O)NCc1cc[n+](cc1)C.[I-] |
Title of publication | Hidden signatures: new reagents for developing latent fingerprints |
Authors of publication | Plater, M. John; Barnes, Paul; McDonald, Lauren K.; Wallace, Sandy; Archer, Nia; Gelbrich, Thomas; Horton, Peter N.; Hursthouse, Michael B. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2009 |
Journal volume | 7 |
Journal issue | 8 |
Pages of publication | 1633 - 1641 |
a | 8.584 ± 0.0002 Å |
b | 12.9688 ± 0.0003 Å |
c | 10.3119 ± 0.0002 Å |
α | 90° |
β | 100.852 ± 0.001° |
γ | 90° |
Cell volume | 1127.43 ± 0.04 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0206 |
Residual factor for significantly intense reflections | 0.0189 |
Weighted residual factors for significantly intense reflections | 0.0422 |
Weighted residual factors for all reflections included in the refinement | 0.043 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150585.cif |
180291 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/05. |
7150585.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150585.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150585.cif |
1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150585.cif |
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Users of the data should acknowledge the original authors of the
structural data.