Crystallography Open Database

Information card for entry 7201802

7201801 << 7201802 >> 7201803

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Coordinates	7201802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C195 H232 N16 O24 S4
Calculated formula	C195 H232 N16 O24 S4
Title of publication	Heterodimeric capsules formed by tetratosyl and tetratolyl urea calix[4]arenes
Authors of publication	Bolte, Michael; Thondorf, Iris; Böhmer, Volker; Rudzevich, Valentyn; Rudzevich, Yuliya
Journal of publication	CrystEngComm
Year of publication	2009
a	19.044 ± 0.0018 Å
b	23.3714 ± 0.0019 Å
c	24.3644 ± 0.0018 Å
α	102.521 ± 0.006°
β	104.366 ± 0.007°
γ	110.736 ± 0.007°
Cell volume	9252.5 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2684
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.2504
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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