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Information card for entry 2231597
Preview
Coordinates | 2231597.cif |
---|---|
Structure factors | 2231597.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 8-(Naphthalen-1-yl)quinoline |
---|---|
Formula | C19 H13 N |
Calculated formula | C19 H13 N |
SMILES | n1cccc2cccc(c12)c1cccc2ccccc12 |
Title of publication | 8-(Naphthalen-1-yl)quinoline |
Authors of publication | Kanu, Godwin; Lalancette, Roger A.; Vitale, Dale E. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 9 |
Pages of publication | o2522 |
a | 6.1778 ± 0.0001 Å |
b | 10.0392 ± 0.0002 Å |
c | 10.8828 ± 0.0002 Å |
α | 104.537 ± 0.001° |
β | 106.435 ± 0.001° |
γ | 90.002 ± 0.001° |
Cell volume | 624.81 ± 0.02 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.052 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.123 |
Weighted residual factors for all reflections included in the refinement | 0.131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2231597.cif 2231597.hkl |
181237 | 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 2/23/15. |
2231597.cif 2231597.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. |
2231597.cif 2231597.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231597.cif 2231597.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. | 2231597.cif 2231597.hkl |
27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231597.cif 2231597.hkl |
27727 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231597 via cif-deposit CGI script. |
2231597.cif |
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Users of the data should acknowledge the original authors of the
structural data.