Crystallography Open Database

Information card for entry 7133675

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Coordinates	7133675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.1 H46.9 F12 N2 O4 P2
Calculated formula	C54.1 H48.9 F12 N2 O4 P2
Title of publication	Annulated oxazolium anion-π<sup>+</sup> AIEgens.
Authors of publication	Rana, Samim Sohel; Manna, Surajit; Choudhury, Joyanta
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	78
Pages of publication	10942 - 10945
a	32.0534 ± 0.0018 Å
b	32.0534 ± 0.0018 Å
c	19.7407 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	20282 ± 3 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1544
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.2538
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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