Crystallography Open Database

Information card for entry 7059492

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Coordinates	7059492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H7 F7 O
Calculated formula	C16 H7 F7 O
Title of publication	Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates
Authors of publication	Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	17
Pages of publication	6704 - 6708
a	5.6304 ± 0.0005 Å
b	8.4095 ± 0.0009 Å
c	15.7707 ± 0.0014 Å
α	95.118 ± 0.008°
β	96.805 ± 0.007°
γ	92.702 ± 0.008°
Cell volume	737.25 ± 0.12 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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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