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Information card for entry 8105722
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Coordinates | 8105722.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H42 N2 O4 |
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Calculated formula | C42 H42 N2 O4 |
Title of publication | Crystal structure of diethyl 4,6-diphenyl-1,9-di-p-tolylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta[b]pyridine-3,5(2H)-dicarboxylate, C42H42N2O4 |
Authors of publication | Fan, Shuai; Zhang, Qian; Lv, Xu-Dong; Jin, Yuan-Yuan; Yang, Zhao-Yong |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 3 |
Pages of publication | 455 - 457 |
a | 9.309 ± 0.003 Å |
b | 14.191 ± 0.005 Å |
c | 14.918 ± 0.005 Å |
α | 69.221 ± 0.004° |
β | 82.384 ± 0.005° |
γ | 72.805 ± 0.004° |
Cell volume | 1759.3 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1449 |
Residual factor for significantly intense reflections | 0.0699 |
Weighted residual factors for significantly intense reflections | 0.1538 |
Weighted residual factors for all reflections included in the refinement | 0.1806 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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