Crystallography Open Database

Information card for entry 4025728

Preview

Coordinates	4025728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H22
Calculated formula	C34 H22
SMILES	c1cc(cc2ccc3ccc4ccc5cc(ccc5c4c3c12)c1ccccc1)c1ccccc1
Title of publication	A Versatile Synthesis of Functionalized Pentahelicenes
Authors of publication	Olivier Songis; Jiří Míšek; Markus B. Schmid; Adrian Kollárovič; Irena G. Stará; David Šaman; Ivana Císařová; Ivo Starý
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	6889 - 6899
a	20.2803 ± 0.0008 Å
b	9.1154 ± 0.0003 Å
c	12.4619 ± 0.0005 Å
α	90°
β	107.369 ± 0.0018°
γ	90°
Cell volume	2198.69 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	2
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	0.0511
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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