Crystallography Open Database

Information card for entry 7118225

Preview

Coordinates	7118225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.17 H36 Br Cd I2 N3 O6.33
Calculated formula	C42.1666 H35.9998 Br Cd I2 N3 O6.3333
Title of publication	A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.
Authors of publication	Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	12
Pages of publication	2545 - 2548
a	54.5811 ± 0.001 Å
b	54.5811 ± 0.001 Å
c	8.9081 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	22982.7 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0998
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1916
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
175874 (current)	2016-02-04	cif/ Updating files of 7118223, 7118224, 7118225, 7118226, 7118227 Original log message: Adding full bibliography for 7118223--7118227.cif.	7118225.cif
171859	2016-01-01	cif/ Adding structures of 7118223, 7118224, 7118225, 7118226, 7118227 via cif-deposit CGI script.	7118225.cif