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Information card for entry 8103191
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Coordinates | 8103191.cif |
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Chemical name | 1,3-bis(o-hydroxybenzyl)-2- phenylimidazolidine |
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Formula | C23 H24 N2 O2 |
Calculated formula | C23 H24 N2 O2 |
SMILES | C1(c2ccccc2)N(CCN1Cc1ccccc1O)Cc1ccccc1O |
Title of publication | Crystal structure of 1,3-bis(o-hydroxybenzyl)-2-phenylimidazolidine, C23H24N2O2 |
Authors of publication | Yan-Wei Li; Li-Qiao Zhang; Zi-Xing Ren; Su Zhang; Jian-Fang Ma |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2011 |
Journal volume | 226 |
Journal issue | 4 |
Pages of publication | 489 |
a | 6.255 ± 0.005 Å |
b | 9.095 ± 0.005 Å |
c | 17.925 ± 0.005 Å |
α | 80.113 ± 0.005° |
β | 87.715 ± 0.005° |
γ | 74.388 ± 0.005° |
Cell volume | 967.5 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0878 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1096 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.877 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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