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Information card for entry 2020454
Preview
Coordinates | 2020454.cif |
---|---|
Structure factors | 2020454.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>S</i>)-(+)-2-({[(4-Methylphenyl)ethyl]imino}methyl)naphthalene |
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Formula | C20 H19 N |
Calculated formula | C20 H19 N |
SMILES | N(=C\c1cc2ccccc2cc1)/[C@@H](C)c1ccc(cc1)C |
Title of publication | Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group |
Authors of publication | Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René |
Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
Year of publication | 2016 |
Journal volume | 72 |
Journal issue | 4 |
Pages of publication | 583 |
a | 6.0946 ± 0.0005 Å |
b | 7.5732 ± 0.0005 Å |
c | 34.046 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1571.4 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.068 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.1002 |
Weighted residual factors for all reflections included in the refinement | 0.1117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181874 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04 |
2020454.cif 2020454.hkl |
180667 | 2016-04-01 | cif/ hkl/ Adding structures of 2020453, 2020454, 2020455, 2020456, 2020457, 2020458, 2020459, 2020460, 2020461, 2020462 via cif-deposit CGI script. |
2020454.cif 2020454.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.