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Information card for entry 7212305
Preview
Coordinates | 7212305.cif |
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Original paper (by DOI) | HTML |
Common name | 2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate benzene solvate |
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Chemical name | 2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate benzene solvate |
Formula | C27 H22 Cl2 O8 |
Calculated formula | C27 H22 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 | 32.22 ± 0.03 Å |
b | 9.584 ± 0.008 Å |
c | 21.386 ± 0.019 Å |
α | 90° |
β | 129.72 ± 0.03° |
γ | 90° |
Cell volume | 5080 ± 8 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.179 |
Residual factor for significantly intense reflections | 0.1154 |
Weighted residual factors for significantly intense reflections | 0.2338 |
Weighted residual factors for all reflections included in the refinement | 0.2626 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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