Crystallography Open Database

Information card for entry 7232854

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Coordinates	7232854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H66 N2 O4
Calculated formula	C52 H66 N2 O4
Title of publication	Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes
Authors of publication	Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	30
Pages of publication	17035
a	4.638 ± 0.003 Å
b	9.316 ± 0.005 Å
c	24.909 ± 0.014 Å
α	91.765 ± 0.012°
β	91.622 ± 0.012°
γ	92.166 ± 0.015°
Cell volume	1074.5 ± 1.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 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	0.0806
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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