Crystallography Open Database

Information card for entry 1573024

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Coordinates	1573024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H158
Calculated formula	C136 H158
Title of publication	π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures.
Authors of publication	Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	40
Pages of publication	16529 - 16535
a	46.521 ± 0.002 Å
b	45.59 ± 0.002 Å
c	24.322 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	51584 ± 5 Å³
Cell temperature	117.4 ± 0.14 K
Ambient diffraction temperature	117.4 ± 0.14 K
Number of distinct elements	2
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.2174
Residual factor for significantly intense reflections	0.12
Weighted residual factors for significantly intense reflections	0.2732
Weighted residual factors for all reflections included in the refinement	0.3108
Goodness-of-fit parameter for all reflections included in the refinement	1.244
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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