Crystallography Open Database

Information card for entry 7134065

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Coordinates	7134065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 O4
Calculated formula	C21 H22 O4
Title of publication	Synthesis of Polysubstituted Tetrahydrofurans via 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
Year of publication	2025
a	17.4908 ± 0.0004 Å
b	8.9534 ± 0.0002 Å
c	24.3196 ± 0.0007 Å
α	90°
β	108.54 ± 0.0008°
γ	90°
Cell volume	3610.86 ± 0.16 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
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	0.0427
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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