Crystallography Open Database

Information card for entry 7234720

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Coordinates	7234720.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,7,13,18-tetramethoxytetrabenzo[f,h,r,t]rubicene
Formula	C92 H60 O8
Calculated formula	C92 H60 O8
Title of publication	Contorted aromatics via a palladium-catalyzed cyclopentannulation strategy
Authors of publication	Sambasiva R. Bheemireddy; Pamela C. Ubaldo; Aaron D. Finke; Lichang Wang; Kyle N. Plunkett
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	3963 - 3969
a	37.95 ± 0.008 Å
b	3.8 ± 0.0008 Å
c	23.96 ± 0.005 Å
α	90°
β	122.05 ± 0.03°
γ	90°
Cell volume	2928.6 ± 1.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
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	0.0565
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.61933 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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