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Information card for entry 4022905
Preview
Coordinates | 4022905.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H60 Cl6 O6 |
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Calculated formula | C60 H60 Cl6 O6 |
Title of publication | Facile Synthesis of Janus "Double-Concave" Tribenzo[a,g,m]coronenes |
Authors of publication | Zhongtao Li; Nigel T. Lucas; Zhaohui Wang; Daoben Zhu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 3917 - 3920 |
a | 13.2555 ± 0.0016 Å |
b | 12.7977 ± 0.0015 Å |
c | 30.54 ± 0.004 Å |
α | 90° |
β | 93.444 ± 0.001° |
γ | 90° |
Cell volume | 5171.4 ± 1.1 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0507 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.0986 |
Weighted residual factors for all reflections included in the refinement | 0.1043 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178408 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/29. |
4022905.cif |
120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4022905.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4022905.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4022905.cif |
430 | 2008-07-18 | Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition. |
4022905.cif |
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Users of the data should acknowledge the original authors of the
structural data.