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Information card for entry 4509828
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Coordinates | 4509828.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H27 O8 |
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Calculated formula | C24 H27 O8 |
Title of publication | Generation of Square-Shaped Cyclic Dimers vs Zigzag Hydrogen-Bonding Networks and Pseudoconformational Polymorphism of Tethered Benzoic Acids |
Authors of publication | Kohmoto, Shigeo; Kuroda, Yu; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 12 |
Pages of publication | 5017 |
a | 5.4919 ± 0.0006 Å |
b | 12.5958 ± 0.0013 Å |
c | 17.2079 ± 0.0018 Å |
α | 71.111 ± 0.001° |
β | 86.297 ± 0.001° |
γ | 85.83 ± 0.001° |
Cell volume | 1122.2 ± 0.2 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 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 | 0.0552 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1181 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4509828.html
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Users of the data should acknowledge the original authors of the
structural data.