Crystallography Open Database

Information card for entry 1553221

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Coordinates	1553221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 O3
Calculated formula	C14 H12 O3
Title of publication	A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures
Authors of publication	Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	3
Pages of publication	354
a	15.9874 ± 0.0007 Å
b	10.2887 ± 0.0004 Å
c	13.7969 ± 0.0006 Å
α	90°
β	108.28 ± 0.001°
γ	90°
Cell volume	2154.92 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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