Crystallography Open Database

Information card for entry 4021241

Preview

Coordinates	4021241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H62 N2 O12
Calculated formula	C56 H56 N3 O16
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	15.4 ± 0.01 Å
b	12.935 ± 0.004 Å
c	27.73 ± 0.01 Å
α	90°
β	105.76 ± 0.05°
γ	90°
Cell volume	5317 ± 4 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.125
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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