Crystallography Open Database

Information card for entry 4029571

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Coordinates	4029571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H115 N11 O13
Calculated formula	C88 H107 N11 O13
Title of publication	Expanding the registry of aromatic amide foldamers: folding, photochemistry and assembly using diaza-anthracene units.
Authors of publication	Berni, Emanuela; Dolain, Christel; Kauffmann, Brice; Léger, Jean-Michel; Zhan, Chuanlang; Huc, Ivan
Journal of publication	The Journal of organic chemistry
Year of publication	2008
Journal volume	73
Journal issue	7
Pages of publication	2687 - 2694
a	11.835 ± 0.001 Å
b	14.828 ± 0.001 Å
c	24.294 ± 0.001 Å
α	82.56 ± 0.01°
β	86.99 ± 0.01°
γ	78.87 ± 0.01°
Cell volume	4146.3 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.1428
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2392
Weighted residual factors for all reflections included in the refinement	0.2825
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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