Crystallography Open Database

Information card for entry 7116582

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Coordinates	7116582.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	MeOFAP-F4TCNQ
Formula	C86 H36 Cl12 F6 N6 O6
Calculated formula	C86 H36 Cl12 F6 N6 O6
Title of publication	A facile synthesis of trinaphtho[3.3.3]propellane and its pi-extension and the formation of a two-dimensional honeycomb molecular assembly
Authors of publication	Takashi Kubo; Shogo Miyazaki; Takuya Kodama; Mitsuya Aoba; Yasukazu Hirao; Hiroyuki Kurata
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	3801
a	37.189 ± 0.002 Å
b	25.4108 ± 0.0015 Å
c	19.26 ± 0.001 Å
α	90°
β	107.552 ± 0.0014°
γ	90°
Cell volume	17353.4 ± 1.7 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
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	0.2495
Residual factor for significantly intense reflections	0.103
Weighted residual factors for significantly intense reflections	0.2674
Weighted residual factors for all reflections included in the refinement	0.3224
Goodness-of-fit parameter for all reflections included in the refinement	0.854
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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