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Information card for entry 7110664
Preview
Coordinates | 7110664.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 6-hexylsulfonyl-2-napthol |
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Formula | C16 H20 O3 S |
Calculated formula | C16 H20 O3 S |
SMILES | S(=O)(=O)(CCCCCC)c1cc2ccc(cc2cc1)O |
Title of publication | Hydrogen bonding and cooperativity effects on the assembly of alkyl- and perfluoroalkyl-sulfonyl naphthols: F···F non-bonded interactions† |
Authors of publication | Kowalik, Janusz; VanDerveer, Donald; Clower, Caroline; Tolbert, Laren M. |
Journal of publication | Chemical Communications |
Year of publication | 1999 |
Journal issue | 19 |
Pages of publication | 2007 |
a | 5.619 ± 0.0002 Å |
b | 15.8672 ± 0.0006 Å |
c | 17.189 ± 0.0007 Å |
α | 90° |
β | 96.581 ± 0.002° |
γ | 90° |
Cell volume | 1522.44 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0829 |
Residual factor for significantly intense reflections | 0.0565 |
Weighted residual factors for significantly intense reflections | 0.1211 |
Weighted residual factors for all reflections included in the refinement | 0.1334 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7110664.html
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