Crystallography Open Database

Information card for entry 4038230

Preview

Coordinates	4038230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 N4 O4 S2
Calculated formula	C26 H28 N4 O4 S2
Title of publication	Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.
Authors of publication	Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	8
Pages of publication	5351 - 5361
a	27.2818 ± 0.0014 Å
b	14.841 ± 0.0008 Å
c	6.2806 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2542.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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