Crystallography Open Database

Information card for entry 1556153

Preview

Coordinates	1556153.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4a
Formula	C40 H20 F8 N4
Calculated formula	C40 H20 F8 N4
Title of publication	Donor-acceptor segregated paracyclophanes composed of naphthobipyrrole and stacked fluoroarenes.
Authors of publication	Takase, Masayoshi; Inabe, Ayumi; Sugawara, Yuki; Fujita, Wataru; Nishinaga, Tohru; Nomura, Kotohiro
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	13
Pages of publication	3202 - 3205
a	20.8969 ± 0.0019 Å
b	25.977 ± 0.002 Å
c	14.1722 ± 0.0013 Å
α	90°
β	129.736 ± 0.002°
γ	90°
Cell volume	5916.1 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.1645
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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