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Information card for entry 2235799
Preview
Coordinates | 2235799.cif |
---|---|
Structure factors | 2235799.hkl |
Original IUCr paper | HTML |
Chemical name | 2-(Anthracen-9-yl)-10-methoxybenzo[<i>h</i>]quinoline acetone hemisolvate |
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Formula | C29.5 H22 N O1.5 |
Calculated formula | C29.5 H22 N O1.5 |
Title of publication | 2-(Anthracen-9-yl)-10-methoxybenzo[<i>h</i>]quinoline acetone hemisolvate |
Authors of publication | Dong, Zhenming; Liu, Bo; Cui, Xinxin; Liu, Yufang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 8 |
Pages of publication | o2535 |
a | 9.198 ± 0.003 Å |
b | 10.69 ± 0.004 Å |
c | 11.13 ± 0.004 Å |
α | 95.224 ± 0.004° |
β | 91.484 ± 0.005° |
γ | 94.064 ± 0.005° |
Cell volume | 1086.5 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0956 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.1453 |
Weighted residual factors for all reflections included in the refinement | 0.1595 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181279 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/57. |
2235799.cif 2235799.hkl |
176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2235799.cif 2235799.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235799.cif 2235799.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235799.cif 2235799.hkl |
66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235799.cif 2235799.hkl |
65828 | 2012-09-06 | cif/ Adding structures of 2235799 via cif-deposit CGI script. |
2235799.cif |
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Users of the data should acknowledge the original authors of the
structural data.