Crystallography Open Database

Information card for entry 7108528

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Coordinates	7108528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 Cl
Calculated formula	C30 H33 Cl
Title of publication	Ferric chloride-catalyzed C-N bond cleavage for the cyclization of arylallenes leading to polysubstituted indenes
Authors of publication	Cong-Rong Liu; Ting-Ting Wang; Qing-Biao Qi; Shi-Kai Tian
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	10913
a	8.1616 ± 0.0004 Å
b	9.0676 ± 0.0004 Å
c	17.279 ± 0.0008 Å
α	88.4 ± 0.004°
β	88.014 ± 0.004°
γ	77.311 ± 0.004°
Cell volume	1246.5 ± 0.1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0795
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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