Crystallography Open Database

Information card for entry 7249291

Preview

Coordinates	7249291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 O4
Calculated formula	C31 H30 O4
Title of publication	De novo synthesis of 6-6-5 fused systems through electrochemical decarboxylation and radical domino additions
Authors of publication	Yuan, Chengcheng; Liu, Guanru; Guan, Wenjing; Hang, Jinlin; Fang, Zheng; Liu, Chengkou; Guo, Kai
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	19
Pages of publication	10308 - 10313
a	6.6573 ± 0.0006 Å
b	11.266 ± 0.0008 Å
c	16.8729 ± 0.0014 Å
α	97.191 ± 0.003°
β	93.243 ± 0.003°
γ	102.955 ± 0.003°
Cell volume	1218.88 ± 0.17 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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