Crystallography Open Database

Information card for entry 7104774

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Coordinates	7104774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 N12 O18
Calculated formula	C60 H66 N12 O18
Title of publication	Cylindrical sheet formation of oligo-meta-aniline foldamers.
Authors of publication	Maurizot, Victor; Massip, Stéphane; Léger, Jean-Michel; Déléris, Gérard
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	38
Pages of publication	5698 - 5700
a	18.0066 ± 0.0009 Å
b	33.8684 ± 0.0011 Å
c	20.263 ± 0.001 Å
α	90°
β	92.719 ± 0.002°
γ	90°
Cell volume	12343.6 ± 1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.178
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.2243
Weighted residual factors for all reflections included in the refinement	0.2655
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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