Crystallography Open Database

Information card for entry 4021240

Preview

Coordinates	4021240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H68 O10
Calculated formula	C52 H68 O10
Title of publication	Preparation and Conformation of Dioxocalix[4]arene Derivatives
Authors of publication	Noa Seri; Iris Thondorf; Silvio E. Biali
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	4774 - 4780
a	11.84 ± 0.01 Å
b	18.897 ± 0.005 Å
c	11.573 ± 0.003 Å
α	104.16 ± 0.02°
β	96.25 ± 0.05°
γ	82.52 ± 0.05°
Cell volume	2481 ± 2 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.118
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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