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Information card for entry 4118555
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4118555.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C112 H104 B4 O12 |
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Calculated formula | C112 H104 B4 O12 |
Title of publication | Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units |
Authors of publication | Suguru Ito; Kosuke Ono; Nobuharu Iwasawa |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 13962 - 13965 |
a | 13.142 ± 0.0003 Å |
b | 14.228 ± 0.0003 Å |
c | 14.63 ± 0.0003 Å |
α | 76.398 ± 0.001° |
β | 79.756 ± 0.001° |
γ | 64.152 ± 0.001° |
Cell volume | 2383.96 ± 0.09 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1091 |
Residual factor for significantly intense reflections | 0.0867 |
Weighted residual factors for significantly intense reflections | 0.2301 |
Weighted residual factors for all reflections included in the refinement | 0.2575 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
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/4118555.html
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structural data.