Crystallography Open Database

Information card for entry 4022353

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Coordinates	4022353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H62 O10 S4
Calculated formula	C44.5 H60.3 O8.8 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	19.65 ± 0.002 Å
b	13.89 ± 0.0006 Å
c	33.63 ± 0.0006 Å
α	90°
β	91.58 ± 0.0003°
γ	90°
Cell volume	9175.4 ± 0.8 Å³
Cell temperature	230.2 K
Number of distinct elements	4
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	0.0454
Weighted residual factors for all reflections included in the refinement	0.0496
Goodness-of-fit parameter for all reflections included in the refinement	1.363
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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