Crystallography Open Database

Information card for entry 7133805

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Coordinates	7133805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 F6 N2 O4
Calculated formula	C30 H24 F6 N2 O4
Title of publication	A simple method to modulate the selectivity of aryl azide photolysis using cucurbit[8]uril
Authors of publication	Qiu, Xujun; Cai, Qianyu; Pohl, Eric; Jung, Andre; Su, Haopu; Fuhr, Olaf; Schepers, Ute; Bräse, Stefan
Journal of publication	Chemical Communications
Year of publication	2024
a	10.4972 ± 0.0003 Å
b	20.641 ± 0.0005 Å
c	12.7749 ± 0.0004 Å
α	90°
β	106.847 ± 0.002°
γ	90°
Cell volume	2649.18 ± 0.13 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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