Crystallography Open Database

Information card for entry 7118720

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Coordinates	7118720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C428 H413 N84 O92
Calculated formula	C428 H443 N84 O92
Title of publication	Citric acid encapsulation by a double helical foldamer in competitive solvents.
Authors of publication	Chandramouli, Nagula; Ferrand, Yann; Kauffmann, Brice; Huc, Ivan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	20
Pages of publication	3939 - 3942
a	28.125 ± 0.006 Å
b	30.271 ± 0.006 Å
c	35.821 ± 0.007 Å
α	69.22 ± 0.03°
β	80.81 ± 0.03°
γ	88.35 ± 0.03°
Cell volume	28134 ± 12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.2712
Residual factor for significantly intense reflections	0.1928
Weighted residual factors for significantly intense reflections	0.4322
Weighted residual factors for all reflections included in the refinement	0.4585
Goodness-of-fit parameter for all reflections included in the refinement	1.961
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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