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Information card for entry 7111458
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Coordinates | 7111458.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Hexa-O-benzoyl-myo-inositol |
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Chemical name | Hexa-O-benzoyl-myo-inositol |
Formula | C49.75 H40 Cl3.5 O12.25 |
Calculated formula | C49.75 H39.5 Cl3.5 O12.25 |
Title of publication | Capturing a metastable chiral polymorph of an achiral molecule?hexa-O-benzoyl-myo-inositol |
Authors of publication | Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S. |
Journal of publication | Chemical Communications |
Year of publication | 2004 |
Journal issue | 22 |
Pages of publication | 2530 - 2531 |
a | 13.961 ± 0.002 Å |
b | 14.214 ± 0.002 Å |
c | 15.134 ± 0.002 Å |
α | 104.827 ± 0.002° |
β | 101.516 ± 0.002° |
γ | 117.97 ± 0.002° |
Cell volume | 2377.6 ± 0.6 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0828 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.1866 |
Weighted residual factors for all reflections included in the refinement | 0.2021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7111458.html
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