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Information card for entry 8105724
Preview
Coordinates | 8105724.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H34 N2 O4 |
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Calculated formula | C38 H34 N2 O4 |
Title of publication | Crystal structure of dimethyl 1,4,6,9-tetraphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta[b]pyridine-3,7(2H)-dicarboxylate, C38H34N2O4 |
Authors of publication | Wang, Yin-Xin; Geng, Si-Qi; Qin, Jia-Rui; Zhang, Wen-Li; Zhong, Qi-Di |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 3 |
Pages of publication | 463 - 465 |
a | 11.1158 ± 0.0019 Å |
b | 11.302 ± 0.002 Å |
c | 12.634 ± 0.002 Å |
α | 72.109 ± 0.002° |
β | 77.41 ± 0.002° |
γ | 82.648 ± 0.003° |
Cell volume | 1471 ± 0.4 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 | 0.0611 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1553 |
Weighted residual factors for all reflections included in the refinement | 0.1738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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