Crystallography Open Database

Information card for entry 7243107

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Coordinates	7243107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H144 N18 O19
Calculated formula	C86 H144 N18 O19
Title of publication	Binding modes of methyl α-d-glucopyranoside to an artificial receptor in crystalline complexes
Authors of publication	Köhler, Linda; Hübler, Conrad; Seichter, Wilhelm; Mazik, Monika
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	36
Pages of publication	22221 - 22229
a	12.2116 ± 0.0014 Å
b	14.5632 ± 0.0016 Å
c	14.5319 ± 0.0017 Å
α	67.762 ± 0.009°
β	86.941 ± 0.009°
γ	84.111 ± 0.009°
Cell volume	2379.2 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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