Crystallography Open Database

Information card for entry 7134064

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Coordinates	7134064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 F2 O4
Calculated formula	C21 H20 F2 O4
Title of publication	Synthesis of polysubstituted tetrahydrofurans <i>via</i> visible light-induced De Mayo acetalization of benzoylacetones.
Authors of publication	Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Chien, Su-Ying
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	10
Pages of publication	2040 - 2043
a	17.2464 ± 0.0004 Å
b	9.1025 ± 0.0002 Å
c	25.1237 ± 0.0007 Å
α	90°
β	109.707 ± 0.0008°
γ	90°
Cell volume	3713.06 ± 0.16 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297991 (current)	2025-03-04	cif/ Updating files of 7134063, 7134064, 7134065 Original log message: Adding full bibliography for 7134063--7134065.cif.	7134064.cif
296894	2024-12-18	cif/ Adding structures of 7134063, 7134064, 7134065 via cif-deposit CGI script.	7134064.cif