Crystallography Open Database

Information card for entry 7130438

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Coordinates	7130438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Cl F O3
Calculated formula	C30 H32 Cl F O3
Title of publication	KOtBu-promoted Michael/aldol/ring-opening cascade reaction of cyclobutanones with chalcones
Authors of publication	Wang, Biao; Zhong, Han; Tian, Xu
Journal of publication	Chemical Communications
Year of publication	2022
a	9.4244 ± 0.0008 Å
b	9.7735 ± 0.0008 Å
c	16.0599 ± 0.0013 Å
α	105.511 ± 0.007°
β	106.708 ± 0.007°
γ	93.809 ± 0.007°
Cell volume	1348.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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