Crystallography Open Database

Information card for entry 1570804

Preview

Coordinates	1570804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 N3 O3
Calculated formula	C17 H11 N3 O3
Title of publication	Multiple control of azoquinoline based molecular photoswitches.
Authors of publication	Lv, Youming; Ye, Hebo; You, Lei
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	9
Pages of publication	3290 - 3299
a	3.9819 ± 0.0003 Å
b	14.7672 ± 0.0009 Å
c	11.4435 ± 0.0008 Å
α	90°
β	94.161 ± 0.007°
γ	90°
Cell volume	671.12 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1683
Weighted residual factors for all reflections included in the refinement	0.1811
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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