Crystallography Open Database

Information card for entry 7117598

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Coordinates	7117598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 F N O2
Calculated formula	C21 H18 F N O2
Title of publication	Cascade bicyclizations of o-alkynyl aldehydes with thiazolium salts: a new access toward poly-functionalized indeno[2,1-b]pyrroles.
Authors of publication	Zhou, Peng; Hao, Wen-Juan; Zhang, Jin-Peng; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	65
Pages of publication	13012 - 13015
a	40.945 ± 0.004 Å
b	4.8118 ± 0.0006 Å
c	18.994 ± 0.0017 Å
α	90°
β	114.23 ± 0.003°
γ	90°
Cell volume	3412.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1505
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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