Crystallography Open Database

Information card for entry 4020961

4020960 << 4020961 >> 4020962

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Coordinates	4020961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H74 O7 S4
Calculated formula	C62 H74 O7 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	13.986 ± 0.002 Å
b	14.416 ± 0.002 Å
c	33.061 ± 0.006 Å
α	92.229 ± 0.016°
β	91.131 ± 0.014°
γ	99.872 ± 0.01°
Cell volume	6559.8 ± 1.8 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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