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Information card for entry 4107844
Preview
Coordinates | 4107844.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (E)-2-[1-(2,5-dimethyl-3-furyl)-2-methylpropylidene]-3-isopropylidenesuccinic anhydride |
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Formula | C17 H20 O4 |
Calculated formula | C17 H20 O4 |
SMILES | C1(/C(=C(C)C)C(=O)OC1=O)=C(/c1cc(oc1C)C)C(C)C |
Title of publication | X-ray Diffraction Analysis of Photochromic Reaction of Fulgides: Crystalline State Reaction Induced by Two-Photon Excitation |
Authors of publication | Jun Harada; Ryo Nakajima; Keiichiro Ogawa |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 7085 - 7091 |
a | 8.1659 ± 0.0007 Å |
b | 18.8346 ± 0.0017 Å |
c | 10.5061 ± 0.0009 Å |
α | 90° |
β | 110.755 ± 0.002° |
γ | 90° |
Cell volume | 1511 ± 0.2 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 3 |
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 | 0.047 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.1104 |
Weighted residual factors for all reflections included in the refinement | 0.1157 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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