Crystallography Open Database

Information card for entry 4027946

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Coordinates	4027946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 I2 N2
Calculated formula	C30 H26 I2 N2
Title of publication	Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization
Authors of publication	Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	1329 - 1342
a	12.3229 ± 0.0004 Å
b	18.3554 ± 0.0005 Å
c	22.9405 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5189 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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