Crystallography Open Database

Information card for entry 1554970

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Coordinates	1554970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Cl
Calculated formula	C17 H14 Cl
Title of publication	Rh-Catalyzed intramolecular decarbonylative cyclization of ortho-formyl group tethered alkylidenecyclopropanes (ACPs) for the construction of 2-methylindenes
Authors of publication	Fan, Xing; Liu, Ruixing; Wei, Yin; Shi, Min
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	15
Pages of publication	2667
a	10.013 ± 0.005 Å
b	12.073 ± 0.006 Å
c	12.827 ± 0.006 Å
α	111.893 ± 0.015°
β	107.027 ± 0.017°
γ	93.776 ± 0.019°
Cell volume	1348.7 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1127
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1823
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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