Crystallography Open Database

Information card for entry 7222253

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Coordinates	7222253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C141 H125 N3 O4
Calculated formula	C141 H125 N3 O4
Title of publication	Separation of lutidines by enclathration
Authors of publication	Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	43
Pages of publication	8332
a	10.964 ± 0.002 Å
b	14.24 ± 0.003 Å
c	20.271 ± 0.004 Å
α	109.78 ± 0.03°
β	97.99 ± 0.03°
γ	95 ± 0.03°
Cell volume	2918.5 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1163
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1942
Weighted residual factors for all reflections included in the refinement	0.2256
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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