Crystallography Open Database

Information card for entry 7234629

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Coordinates	7234629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 F6 N4 O4
Calculated formula	C20 H14 F6 N4 O4
Title of publication	A fluorescent and halochromic indolizine switch
Authors of publication	Yang Zhang; Jaume Garcia-Amoros; Burjor Captain; Francisco M. Raymo
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2744 - 2747
a	8.601 ± 0.0004 Å
b	21.0213 ± 0.001 Å
c	11.9369 ± 0.0006 Å
α	90°
β	104.717 ± 0.001°
γ	90°
Cell volume	2087.43 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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