Crystallography Open Database

Information card for entry 1573023

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Coordinates	1573023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C137 H171 Cl3
Calculated formula	C137 H171 Cl3
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	38.6708 ± 0.0006 Å
b	24.18 ± 0.0002 Å
c	26.6822 ± 0.0006 Å
α	90°
β	108.601 ± 0.002°
γ	90°
Cell volume	23646.2 ± 0.7 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 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	0.1397
Residual factor for significantly intense reflections	0.1161
Weighted residual factors for significantly intense reflections	0.3203
Weighted residual factors for all reflections included in the refinement	0.335
Goodness-of-fit parameter for all reflections included in the refinement	2.231
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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