Crystallography Open Database

Information card for entry 7237498

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Coordinates	7237498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 N2 O2
Calculated formula	C40 H44 N2 O2
Title of publication	The influence of tetraphenylethylene moieties on the emissive properties of dipyrrolonaphthyridinediones
Authors of publication	Sadowski, Bartłomiej; Su, Shih-Hao; Lin, Ta-Chun; Lohrey, Trevor D.; Deperasińska, Irena; Chou, Pi-Tai; Gryko, Daniel T.
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	45
Pages of publication	12306
a	5.6216 ± 0.0002 Å
b	10.3184 ± 0.0004 Å
c	27.8242 ± 0.0011 Å
α	88.5483 ± 0.001°
β	87.7039 ± 0.0011°
γ	81.9237 ± 0.001°
Cell volume	1596.36 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1214
Residual factor for significantly intense reflections	0.106
Weighted residual factors for significantly intense reflections	0.3253
Weighted residual factors for all reflections included in the refinement	0.3327
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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