Crystallography Open Database

Information card for entry 1559105

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Coordinates	1559105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C154 H184 Br4 N8 O8 Si4
Calculated formula	C154 H184 Br4 N8 O8 Si4
Title of publication	Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors
Authors of publication	Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning
Journal of publication	Chemical Science
Year of publication	2020
a	18.8621 ± 0.0003 Å
b	25.042 ± 0.0003 Å
c	34.0452 ± 0.0006 Å
α	74.283 ± 0.001°
β	77.959 ± 0.002°
γ	68.381 ± 0.002°
Cell volume	14284.1 ± 0.4 Å³
Cell temperature	169.99 ± 0.13 K
Ambient diffraction temperature	169.99 ± 0.13 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1389
Residual factor for significantly intense reflections	0.1103
Weighted residual factors for significantly intense reflections	0.2929
Weighted residual factors for all reflections included in the refinement	0.3159
Goodness-of-fit parameter for all reflections included in the refinement	1.945
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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