Crystallography Open Database

Information card for entry 7154966

Preview

Coordinates	7154966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H23 N
Calculated formula	C35.04 H23.04 N0.96
Title of publication	Synthesis and characterization of a highly strained donor-acceptor nanohoop.
Authors of publication	Van Raden, J. M.; Darzi, E. R.; Zakharov, L. N.; Jasti, R.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	24
Pages of publication	5721 - 5727
a	19.3483 ± 0.0006 Å
b	19.3483 ± 0.0006 Å
c	6.2252 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	2018.22 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
183765 (current)	2016-06-18	cif/ Updating files of 7154966 Original log message: Adding full bibliography for 7154966.cif.	7154966.cif
176243	2016-02-06	cif/ Adding structures of 7154966 via cif-deposit CGI script.	7154966.cif