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Information card for entry 8105966
Preview
Coordinates | 8105966.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41.5 H41 N2 O2.5 |
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Calculated formula | C41.5 H41 N2 O2.5 |
Title of publication | Crystal structure of dimethyl 3,12-dibenzyl-6,10-diphenyl-3,12-diazapentacyclo [6.3.1.02.7.04.11.05.9]-dodecane-7,11-dicarboxylate — acetone (2/1), C40H38N2O2 ⋅ 0.5C3H6O |
Authors of publication | Wang, Ya-Nan; Wu, Yan; Tian, Ye |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2019 |
Journal volume | 234 |
Journal issue | 6 |
Pages of publication | 1163 - 1166 |
a | 21.705 ± 0.008 Å |
b | 18.455 ± 0.006 Å |
c | 17.774 ± 0.007 Å |
α | 90° |
β | 112.216 ± 0.006° |
γ | 90° |
Cell volume | 6591 ± 4 Å3 |
Cell temperature | 128.15 K |
Ambient diffraction temperature | 128.15 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 | 0.0907 |
Residual factor for significantly intense reflections | 0.0647 |
Weighted residual factors for significantly intense reflections | 0.1375 |
Weighted residual factors for all reflections included in the refinement | 0.1531 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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