Crystallography Open Database

Information card for entry 4131970

4131969 << 4131970 >> 4131971

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Coordinates	4131970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H64 N4 O13 S4
Calculated formula	C58 H64 N4 O13 S4
Title of publication	Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Authors of publication	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	15
Pages of publication	5138 - 5145
a	26.738 ± 0.005 Å
b	7.081 ± 0.0011 Å
c	30.146 ± 0.007 Å
α	90°
β	90.53 ± 0.02°
γ	90°
Cell volume	5707.4 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.144
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.1975
Weighted residual factors for all reflections included in the refinement	0.2479
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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