Crystallography Open Database

Information card for entry 7232853

Preview

Coordinates	7232853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 N2 O4
Calculated formula	C38 H38 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	4.755 ± 0.015 Å
b	6.057 ± 0.019 Å
c	27.46 ± 0.09 Å
α	86.36 ± 0.09°
β	89.245 ± 0.01°
γ	84 ± 0.06°
Cell volume	785 ± 4 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	0.1026
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.212
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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