Crystallography Open Database

Information card for entry 7152088

7152087 << 7152088 >> 7152089

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Coordinates	7152088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 Cl4 N4 O10
Calculated formula	C38 H28 Cl4 N4 O10
Title of publication	Amino acid derivatives of perylenediimide and their N-HO peptide bond dipoles-templated solid state assembly into stacks.
Authors of publication	Lemouchi, Cyprien; Simonov, Sergey; Zorina, Leokadiya; Gautier, Christelle; Hudhomme, Piétrick; Batail, Patrick
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	23
Pages of publication	8096 - 8101
a	9.978 ± 0.003 Å
b	10.704 ± 0.003 Å
c	17.817 ± 0.006 Å
α	74.1 ± 0.02°
β	81.31 ± 0.02°
γ	81.28 ± 0.02°
Cell volume	1796.9 ± 1 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1485
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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