Crystallography Open Database

Information card for entry 4103235

Preview

Coordinates	4103235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 Br1.15 Cl5.85 S Sb
Calculated formula	C4 H10 Br1.153 Cl5.847 S Sb
Title of publication	Simple Reagents for Direct Halonium-Induced Polyene Cyclizations
Authors of publication	Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14303 - 14314
a	7.9489 ± 0.0006 Å
b	15.3972 ± 0.0011 Å
c	13.091 ± 0.0009 Å
α	90°
β	106.67 ± 0.001°
γ	90°
Cell volume	1534.88 ± 0.19 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.2072
Weighted residual factors for all reflections included in the refinement	0.2154
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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