Crystallography Open Database

Information card for entry 7244665

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Coordinates	7244665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 O6
Calculated formula	C23 H20 O6
Title of publication	Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides
Authors of publication	Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	9
Pages of publication	3623 - 3628
a	12.0593 ± 0.0007 Å
b	16.1161 ± 0.001 Å
c	20.7106 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4025.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.2027
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.3414 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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