Crystallography Open Database

Information card for entry 7232103

Preview

Coordinates	7232103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Cl2 N4 O6
Calculated formula	C34 H34 Cl2 N4 O6
Title of publication	Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule
Authors of publication	Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	10
Pages of publication	1548
a	19.602 ± 0.0017 Å
b	10.4596 ± 0.0009 Å
c	15.8952 ± 0.0014 Å
α	90°
β	107.358 ± 0.002°
γ	90°
Cell volume	3110.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.054
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223481 (current)	2019-11-07	cif/ Updating files of 7232101, 7232102, 7232103, 7232104, 7232105, 7232106, 7232107 Original log message: Adding full bibliography for 7232101--7232107.cif.	7232103.cif
212927	2019-01-11	cif/ Adding structures of 7232101, 7232102, 7232103, 7232104, 7232105, 7232106, 7232107 via cif-deposit CGI script.	7232103.cif