Crystallography Open Database

Information card for entry 1569558

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Coordinates	1569558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 O S
Calculated formula	C18 H22 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	6.4602 ± 0.0001 Å
b	10.587 ± 0.0002 Å
c	11.9686 ± 0.0003 Å
α	69.336 ± 0.002°
β	76.155 ± 0.002°
γ	85.538 ± 0.001°
Cell volume	743.65 ± 0.03 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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