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Information card for entry 2017089
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Coordinates | 2017089.cif |
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Original IUCr paper | HTML |
Common name | Binaphtholbiscarbonate |
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Chemical name | 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate) |
Formula | C26 H22 O6 |
Calculated formula | C26 H22 O6 |
SMILES | CCOC(=O)Oc1ccc2c(c1c1c(ccc3c1cccc3)OC(=O)OCC)cccc2 |
Title of publication | Apparent shortening of the C<i>sp</i>^3^—C<i>sp</i>^3^ bond analysed <i>via</i> a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate) |
Authors of publication | Nayak, Susanta K.; Chandrasekhar, S.; Guru Row, T. N. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 5 |
Pages of publication | o222 - o225 |
a | 10.7955 ± 0.0017 Å |
b | 14.726 ± 0.002 Å |
c | 15.887 ± 0.003 Å |
α | 63.491 ± 0.002° |
β | 72.4 ± 0.002° |
γ | 73.011 ± 0.002° |
Cell volume | 2117.4 ± 0.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0569 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.1085 |
Weighted residual factors for all reflections included in the refinement | 0.1135 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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/2017089.html
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