Crystallography Open Database

Information card for entry 7133245

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Coordinates	7133245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H90 N6 O18
Calculated formula	C102 H90 N6 O18
Title of publication	Porous organic crystals crosslinked by free-radical reactions.
Authors of publication	Samanta, Krishanu; Mi, Jiashan; Chen, Albert D.; Li, Fangzhou; Staples, Richard J.; Rossini, Aaron J.; Ke, Chenfeng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
a	14.3348 ± 0.0002 Å
b	21.7619 ± 0.0003 Å
c	21.9674 ± 0.0003 Å
α	114.642 ± 0.001°
β	97.609 ± 0.001°
γ	108.079 ± 0.001°
Cell volume	5642.86 ± 0.16 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100.15 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	0.1003
Residual factor for significantly intense reflections	0.0937
Weighted residual factors for significantly intense reflections	0.27
Weighted residual factors for all reflections included in the refinement	0.2749
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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