Crystallography Open Database

Information card for entry 7124985

Preview

Coordinates	7124985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 N4 O4
Calculated formula	C20 H22 N4 O4
Title of publication	Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity.
Authors of publication	Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	79
Pages of publication	11846 - 11849
a	4.5668 ± 0.0004 Å
b	20.531 ± 0.0016 Å
c	20.9009 ± 0.0016 Å
α	76.149 ± 0.002°
β	88.228 ± 0.003°
γ	88.156 ± 0.003°
Cell volume	1901.2 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.11
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
234408 (current)	2019-11-23	cif/ Adding structures of 7124980, 7124981, 7124982, 7124983, 7124984, 7124985, 7124986 via cif-deposit CGI script.	7124985.cif