Crystallography Open Database

Information card for entry 1567620

Preview

Coordinates	1567620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H55 Cl6 I2 N5 Rh2
Calculated formula	C59 H55 Cl6 I2 N5 Rh2
Title of publication	Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs
Authors of publication	Karak, Pirudhan; Choudhury, Joyanta
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	37
Pages of publication	11163 - 11173
a	15.6999 ± 0.0009 Å
b	18.4945 ± 0.001 Å
c	20.4988 ± 0.0011 Å
α	90°
β	91.779 ± 0.003°
γ	90°
Cell volume	5949.2 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.0429
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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