Crystallography Open Database

Information card for entry 1559732

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Coordinates	1559732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 Cl O2
Calculated formula	C25.963 H19 Cl O2
Title of publication	Chemo-selective cross reaction of two enals via carbene-catalyzed dual activation
Authors of publication	Peng, Xiaolin; Xu, Jun; Li, Tingting; Chi, Yonggui Robin; Jin, Zhichao
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	46
Pages of publication	12533 - 12539
a	9.0142 ± 0.0016 Å
b	9.975 ± 0.002 Å
c	11.8175 ± 0.0014 Å
α	90°
β	95.44 ± 0.013°
γ	90°
Cell volume	1057.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.154
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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