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Information card for entry 7212304
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Coordinates | 7212304.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate p- xylene solvate |
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Chemical name | 2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate p-xylene solvate |
Formula | C25 H21 Cl2 O8 |
Calculated formula | C25 H21 Cl2 O8 |
Title of publication | Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction |
Authors of publication | Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 12 |
Pages of publication | 4184 |
a | 11.6917 ± 0.0018 Å |
b | 9.6018 ± 0.0015 Å |
c | 21.103 ± 0.003 Å |
α | 90° |
β | 94.329 ± 0.003° |
γ | 90° |
Cell volume | 2362.3 ± 0.6 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0434 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0818 |
Weighted residual factors for all reflections included in the refinement | 0.0862 |
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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