Crystallography Open Database

Information card for entry 1558426

Preview

Coordinates	1558426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20
Calculated formula	C34 H20
SMILES	c12c3c(c4c(cccc4)c1c1c(ccc4c1cccc4)c1c2cccc1)ccc1c3cccc1
Title of publication	Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group
Authors of publication	Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong
Journal of publication	Chemical Science
Year of publication	2020
a	11.0876 ± 0.0003 Å
b	20.5912 ± 0.0004 Å
c	19.1254 ± 0.0004 Å
α	90°
β	96.758 ± 0.002°
γ	90°
Cell volume	4336.12 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	2
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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