Crystallography Open Database

Information card for entry 7105879

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Structure parameters

Formula	C44 H34 N4 O4
Calculated formula	C44 H34 N4 O4
SMILES	c1(c(c(cc2ccccc12)c1ccnc(c1)c1ccccn1)OCOC)c1c(c(cc2ccccc12)c1ccnc(c1)c1ccccn1)OCOC
Title of publication	Self-discriminating and hierarchical assembly of racemic binaphthyl-bisbipyridines and silver ions: from metallocycles to gel nanofibers
Authors of publication	Yabing He; Zheng Bian; Chuanqing Kang; Lianxun Gao
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	1589
a	21.4815 ± 0.0013 Å
b	12.1504 ± 0.0007 Å
c	13.4906 ± 0.0008 Å
α	90°
β	99.22 ± 0.001°
γ	90°
Cell volume	3475.7 ± 0.4 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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