Crystallography Open Database

Information card for entry 1568969

Preview

Coordinates	1568969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C315 H110
Calculated formula	C315 H110
Title of publication	Regulating supramolecular interactions in dimeric macrocycles.
Authors of publication	Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	20
Pages of publication	5425 - 5430
a	20.6555 ± 0.0002 Å
b	38.6556 ± 0.0005 Å
c	25.2345 ± 0.0003 Å
α	90°
β	105.331 ± 0.001°
γ	90°
Cell volume	19431.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1629
Residual factor for significantly intense reflections	0.1416
Weighted residual factors for significantly intense reflections	0.4175
Weighted residual factors for all reflections included in the refinement	0.4408
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1568969.html