Crystallography Open Database

Information card for entry 4034153

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Coordinates	4034153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.12 H25.24 B F2 N2 O2.71
Calculated formula	C37.13 H25.26 B F2 N2 O2.71
Title of publication	Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.
Authors of publication	Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	14
Pages of publication	8886 - 8898
a	20.4379 ± 0.0013 Å
b	4.9001 ± 0.0004 Å
c	29.209 ± 0.002 Å
α	90°
β	103.516 ± 0.005°
γ	90°
Cell volume	2844.2 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1412
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2676
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.78228 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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