Crystallography Open Database

Information card for entry 1543006

Preview

Coordinates	1543006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 Br2 F2
Calculated formula	C34 H24 Br2 F2
SMILES	BrCc1c2ccc(cc2c(cc1)c1ccccc1)F.BrCc1ccc(c2cc(ccc12)F)c1ccccc1
Title of publication	Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.
Authors of publication	Chang, Meng-Yang; Cheng, Yu-Chieh
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	7
Pages of publication	1682 - 1685
a	8.29 ± 0.003 Å
b	16.342 ± 0.006 Å
c	39.875 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	5402 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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