Crystallography Open Database

Information card for entry 4022350

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Coordinates	4022350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H76 Cl2 O4 S4
Calculated formula	C70.4 H74 Cl3.2 O4 S4
Title of publication	Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes
Authors of publication	Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	2324 - 2333
a	21.617 ± 0.001 Å
b	15.6187 ± 0.0009 Å
c	20.908 ± 0.002 Å
α	90°
β	100.26 ± 0.009°
γ	90°
Cell volume	6946.4 ± 0.8 Å³
Cell temperature	223.2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.898
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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