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Information card for entry 7200783
Preview
Coordinates | 7200783.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Chemical name | (E)-2-(9-anthrylmethylene)-1-indanone |
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Formula | C24 H16 O |
Calculated formula | C24 H16 O |
SMILES | O=C1/C(=C/c2c3ccccc3cc3c2cccc3)Cc2c1cccc2 |
Title of publication | Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones |
Authors of publication | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro |
Journal of publication | CrystEngComm |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 7 |
Pages of publication | 1235 |
a | 14.6663 ± 0.0007 Å |
b | 8.6866 ± 0.0004 Å |
c | 25.9906 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3311.2 ± 0.3 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 K |
Number of distinct elements | 3 |
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 | 0.0966 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.11 |
Weighted residual factors for all reflections included in the refinement | 0.1339 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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. |
7200783.cif |
180338 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/07. |
7200783.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200783.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200783.cif |
1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200783.cif |
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Users of the data should acknowledge the original authors of the
structural data.