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Information card for entry 4026878
Preview
Coordinates | 4026878.cif |
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Original paper (by DOI) | HTML |
Formula | C116 H208 N48 O61 |
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Calculated formula | C116 H208 N48 O61 |
Title of publication | Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family |
Authors of publication | Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 606 - 611 |
a | 12.6912 ± 0.0005 Å |
b | 12.5739 ± 0.0005 Å |
c | 23.0762 ± 0.001 Å |
α | 90° |
β | 98.67 ± 0.002° |
γ | 90° |
Cell volume | 3640.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0882 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for significantly intense reflections | 0.1769 |
Weighted residual factors for all reflections included in the refinement | 0.1948 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178447 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/68. |
4026878.cif |
80932 | 2013-04-11 | cif/ Adding structures of 4026878 via cif-deposit CGI script. |
4026878.cif |
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Users of the data should acknowledge the original authors of the
structural data.