Crystallography Open Database

Information card for entry 4022489

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Coordinates	4022489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H81 N O41
Calculated formula	C48 H70.5 N O41
Title of publication	Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures
Authors of publication	Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	8345 - 8352
a	13.207 ± 0.004 Å
b	18.993 ± 0.005 Å
c	28.563 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	7165 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.2194
Residual factor for significantly intense reflections	0.1165
Weighted residual factors for significantly intense reflections	0.2778
Weighted residual factors for all reflections included in the refinement	0.349
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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