Crystallography Open Database

Information card for entry 4022355

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Coordinates	4022355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H60 O9 S4
Calculated formula	C43.4 H52.6 O9.5 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	11.2043 ± 0.0006 Å
b	15.275 ± 0.002 Å
c	14.901 ± 0.001 Å
α	90°
β	96.4206 ± 0.0009°
γ	90°
Cell volume	2534.3 ± 0.4 Å³
Cell temperature	230.2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	2.15
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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