Crystallography Open Database

Information card for entry 7239185

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Coordinates	7239185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H35 N O
Calculated formula	C40 H35 N O
Title of publication	A TPE-oxazoline molecular switch with tunable multi-emission in both solution and solid state
Authors of publication	Qi, Qingkai; Fang, Xiaofeng; Liu, Yifei; Zhou, Peng; Zhang, Yumo; Yang, Bing; Tian, Wenjing; Zhang, Sean Xiao-An
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	38
Pages of publication	16986
a	11.086 ± 0.007 Å
b	12.646 ± 0.009 Å
c	12.71 ± 0.007 Å
α	75.39 ± 0.02°
β	68.94 ± 0.02°
γ	67.74 ± 0.02°
Cell volume	1524.9 ± 1.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.1651
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.2012
Weighted residual factors for all reflections included in the refinement	0.2659
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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