Crystallography Open Database

Information card for entry 7113229

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Coordinates	7113229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H57 N O5
Calculated formula	C29.39 H53.32 N O4.77
Title of publication	Dependence of the enantioselectivity on reversion of layer directions in cholamide inclusion compounds
Authors of publication	Aburaya, Kazuaki; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	41
Pages of publication	4257 - 4259
a	12.1773 ± 0.0004 Å
b	7.8453 ± 0.0003 Å
c	16.2028 ± 0.0005 Å
α	90°
β	107.044 ± 0.0017°
γ	90°
Cell volume	1479.94 ± 0.09 Å³
Cell temperature	98.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.4679
Goodness-of-fit parameter for all reflections included in the refinement	1.476
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Duplicate of	7102208
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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