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Information card for entry 4509438
Preview
Coordinates | 4509438.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H26 O5 |
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Calculated formula | C17 H26 O5 |
SMILES | C(=O)(c1cc(c(c(c1)CO)OCCCCCC)CO)OCC |
Title of publication | Hydrogen-Bonded Dimers of 3,5-Bis(hydroxymethyl)benzoic Acids: Novel Supramolecular Tectons |
Authors of publication | Kohmoto, Shigeo; Kuroda, Yu; Someya, Yasunobu; Kishikawa, Keiki; Masu, Hyuma; Yamaguchi, Kentaro; Azumaya, Isao |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 8 |
Pages of publication | 3457 |
a | 4.5381 ± 0.0005 Å |
b | 28.883 ± 0.003 Å |
c | 13.2464 ± 0.0014 Å |
α | 90° |
β | 92.079 ± 0.001° |
γ | 90° |
Cell volume | 1735.1 ± 0.3 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0818 |
Residual factor for significantly intense reflections | 0.0619 |
Weighted residual factors for significantly intense reflections | 0.1683 |
Weighted residual factors for all reflections included in the refinement | 0.182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/4509438.html
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