Crystallography Open Database

Information card for entry 1569557

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Coordinates	1569557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H30 O S
Calculated formula	C19 H30 O S
Title of publication	A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.
Authors of publication	Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	32
Pages of publication	8624 - 8634
a	44.2057 ± 0.0009 Å
b	7.381 ± 0.0001 Å
c	5.6064 ± 0.0001 Å
α	90°
β	92.306 ± 0.002°
γ	90°
Cell volume	1827.79 ± 0.06 Å³
Cell temperature	298.5 ± 0.7 K
Ambient diffraction temperature	298.5 ± 0.7 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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