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Information card for entry 2240937
Preview
Coordinates | 2240937.cif |
---|---|
Structure factors | 2240937.hkl |
Original IUCr paper | HTML |
Chemical name | (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-2,4,6-Tris(2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-yl)cyclotriboroxane |
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Formula | C48 H75 B3 Cl6 O3 |
Calculated formula | C48 H75 B3 Cl6 O3 |
SMILES | [C@@]123C([C@@]1(CCCC([C@H]2[C@@H]([C@H](CC3)C)B1OB(OB(O1)[C@H]1[C@H]2[C@@]3(C([C@@]3(CCCC2(C)C)C)(Cl)Cl)CC[C@@H]1C)[C@H]1[C@H]2[C@@]3(C([C@@]3(CCCC2(C)C)C)(Cl)Cl)CC[C@@H]1C)(C)C)C)(Cl)Cl |
Title of publication | Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-2,4,6-tris(2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-yl)cyclotriboroxane |
Authors of publication | Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 8 |
Pages of publication | 941 - 943 |
a | 8.824 ± 0.0002 Å |
b | 21.134 ± 0.0004 Å |
c | 26.662 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4972.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0573 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1172 |
Weighted residual factors for all reflections included in the refinement | 0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2240937.html
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