Crystallography Open Database

Information card for entry 1507857

Preview

Coordinates	1507857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 F N O3 S
Calculated formula	C26 H24 F N O3 S
SMILES	c1c(ccc2c1[C@]1(C[C@H]3[C@]2(CCN(C3)S(=O)(=O)c2ccc(cc2)C)O1)c1ccccc1)F.c1c(ccc2c1[C@@]1(C[C@@H]3[C@@]2(CCN(C3)S(=O)(=O)c2ccc(cc2)C)O1)c1ccccc1)F
Title of publication	Gold-catalyzed cascade reaction of hydroxy enynes for the synthesis of oxanorbornenes and naphthalene derivatives.
Authors of publication	Song, Xian-Rong; Xia, Xiao-Feng; Song, Qing-Bao; Yang, Fang; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	13
Pages of publication	3344 - 3347
a	13.03 ± 0.013 Å
b	12.205 ± 0.012 Å
c	15.586 ± 0.015 Å
α	90°
β	114.153 ± 0.011°
γ	90°
Cell volume	2262 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1715
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.1591
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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