Crystallography Open Database

Information card for entry 4020962

4020961 << 4020962 >> 4020963

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Coordinates	4020962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H66 O8 S4
Calculated formula	C50 H66 O8 S4
Title of publication	Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns
Authors of publication	Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	3928 - 3936
a	13.7693 ± 0.001 Å
b	18.219 ± 0.002 Å
c	20.773 ± 0.002 Å
α	77.239 ± 0.015°
β	88.394 ± 0.012°
γ	86.938 ± 0.012°
Cell volume	5074.5 ± 0.9 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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