Crystallography Open Database

Information card for entry 7230945

Preview

Coordinates	7230945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 O4
Calculated formula	C21 H18 O4
Title of publication	Metal-free benzannulation of yne-allenone esters for atom economical synthesis of functionalized 1-naphthols
Authors of publication	Sha, Hong-Kai; Liu, Feng; Lu, Juan; Liu, Zhang-Qin; Hao, Wen-Juan; Tang, Jia-Le; Tu, Shu-Jiang; Jiang, Bo
Journal of publication	Green Chemistry
Year of publication	2018
Journal volume	20
Journal issue	15
Pages of publication	3476
a	17.0463 ± 0.0015 Å
b	11.4307 ± 0.0011 Å
c	18.4621 ± 0.0016 Å
α	90°
β	107.898 ± 0.002°
γ	90°
Cell volume	3423.3 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1499
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1741
Weighted residual factors for all reflections included in the refinement	0.2243
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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