Crystallography Open Database

Information card for entry 4103682

Preview

Coordinates	4103682.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2K-8-100-dp
Formula	C58.7 H34.7 Cl1.1 O8
Calculated formula	C58.7 H34.7 Cl1.1 O8
Title of publication	Synthesis of Cyclododeciptycene Quinones
Authors of publication	Kaiyan Lou; Allan M. Prior; Bernard Wiredu; John Desper; Duy H. Hua
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17635 - 17641
a	11.8671 ± 0.0016 Å
b	14.0629 ± 0.0018 Å
c	14.0671 ± 0.0017 Å
α	71.37 ± 0.006°
β	81.391 ± 0.008°
γ	87.499 ± 0.01°
Cell volume	2199.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1601
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.21
Weighted residual factors for all reflections included in the refinement	0.2528
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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