Crystallography Open Database

Information card for entry 7112356

Preview

Coordinates	7112356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 O3
Calculated formula	C17 H16 O3
Title of publication	A mild method for generation of o-quinone methides under basic conditions. The facile synthesis of trans-2,3-dihydrobenzofurans.
Authors of publication	Chen, Mu-Wang; Cao, Liang-Liang; Ye, Zhi-Shi; Jiang, Guo-Fang; Zhou, Yong-Gui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	16
Pages of publication	1660 - 1662
a	9.7194 ± 0.0011 Å
b	8.3104 ± 0.001 Å
c	17.6639 ± 0.0019 Å
α	90°
β	97.935 ± 0.002°
γ	90°
Cell volume	1413.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7108862
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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