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Information card for entry 2006295
Preview
Coordinates | 2006295.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1,3-dione |
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Formula | C25 H24 O2 |
Calculated formula | C25 H24 O2 |
SMILES | O=C(C(=C1C2CC3CC1CC(C2)C3)C(=O)c1ccccc1)c1ccccc1 |
Title of publication | 1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives |
Authors of publication | Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 7 |
Pages of publication | 956 - 959 |
a | 15.46 ± 0.007 Å |
b | 10.128 ± 0.002 Å |
c | 12.68 ± 0.003 Å |
α | 90° |
β | 101.67 ± 0.02° |
γ | 90° |
Cell volume | 1944.4 ± 1.1 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/c 1 |
Hall space group symbol | -I 2yc |
Residual factor for all reflections | 0.068 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for all reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.042 |
Goodness-of-fit parameter for significantly intense reflections | 4.7 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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