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Information card for entry 2232538
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| Coordinates | 2232538.cif |
|---|---|
| Structure factors | 2232538.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-4-phenyl-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒ 3-amino-1-phenyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile (5/3) |
|---|---|
| Formula | C20.75 H15 N3 |
| Calculated formula | C20.75 H15 N3 |
| SMILES | N#Cc1c(c2ccccc2)c2CCc3c(c2c(c1N)C#N)cccc3.N#Cc1c(c2ccccc2)c2CCc3c(c2nc1N)cccc3.N#Cc1c(c2ccccc2)c2CCc3c(c2nc1N)cccc3 |
| Title of publication | 2-Amino-4-phenyl-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒3-amino-1-phenyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile (5/3) |
| Authors of publication | Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o2872 |
| a | 6.9611 ± 0.0002 Å |
| b | 12.6093 ± 0.0002 Å |
| c | 17.4933 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1535.47 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (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 2/23/25. |
2232538.cif 2232538.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232538.cif 2232538.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232538.cif 2232538.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. | 2232538.cif 2232538.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232538.cif 2232538.hkl |
| 31212 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232538 via cif-deposit CGI script. |
2232538.cif |
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