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Information card for entry 1559703
Preview
Coordinates | 1559703.cif |
---|---|
Structure factors | 1559703.hkl |
Original IUCr paper | HTML |
Chemical name | 2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol |
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Formula | C42 H37 N O2 |
Calculated formula | C42 H37 N O2 |
SMILES | OC([C@@H](/N=C/c1c(O)c(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C)Cc1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | 2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol |
Authors of publication | Show, Veronica L.; Fok, Emily Y.; Johnson, Adam R. |
Journal of publication | IUCrData |
Year of publication | 2020 |
Journal volume | 5 |
Journal issue | 12 |
Pages of publication | x201576 |
a | 9.2554 ± 0.0003 Å |
b | 11.5721 ± 0.0004 Å |
c | 31.9214 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3418.92 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0973 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.0976 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
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259558 (current) | 2020-12-05 | cif/ hkl/ Adding structures of 1559703 via cif-deposit CGI script. |
1559703.cif 1559703.hkl |
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Users of the data should acknowledge the original authors of the
structural data.