Crystallography Open Database

Information card for entry 4022490

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Coordinates	4022490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H80 N0 O40
Calculated formula	C49 H71.5 O39
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	13.204 ± 0.005 Å
b	19.146 ± 0.007 Å
c	28.835 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	7290 ± 5 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	0.2946
Residual factor for significantly intense reflections	0.1416
Weighted residual factors for significantly intense reflections	0.3217
Weighted residual factors for all reflections included in the refinement	0.4211
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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