Crystallography Open Database

Information card for entry 7223372

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Coordinates	7223372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H30 N O8.5
Calculated formula	C28.5 H25 N O8.5
Title of publication	A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid
Authors of publication	Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	1
Pages of publication	123
a	16.286 ± 0.007 Å
b	22.708 ± 0.009 Å
c	7.95 ± 0.003 Å
α	90°
β	115.707 ± 0.005°
γ	90°
Cell volume	2649.1 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1704
Weighted residual factors for all reflections included in the refinement	0.1885
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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