Crystallography Open Database

Information card for entry 7133068

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Coordinates	7133068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 N4 O13 S3
Calculated formula	C36 H44 N4 O13 S3
Title of publication	Aggregate-state-dependent photochromism and circularly polarized luminescence of a chiral biquinoline amphiphile
Authors of publication	Zhao, Chenyang; Li, Zujian; Ji, Lukang; Wang, Han-Xiao; Ouyang, Guanghui; Liu, Minghua
Journal of publication	Chemical Communications
Year of publication	2024
a	17.0638 ± 0.0003 Å
b	4.9924 ± 0.0001 Å
c	23.7104 ± 0.0004 Å
α	90°
β	101.092 ± 0.002°
γ	90°
Cell volume	1982.14 ± 0.06 Å³
Cell temperature	169.99 ± 0.14 K
Ambient diffraction temperature	169.99 ± 0.14 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1921
Weighted residual factors for all reflections included in the refinement	0.1962
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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