Crystallography Open Database

Information card for entry 8000473

Preview

Coordinates	8000473.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 3
Chemical name	7,12-dicyano-3,16-dimethoxyheptahelicene
Formula	C34 H20 N2 O2
Calculated formula	C34 H20 N2 O2
Title of publication	Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence.
Authors of publication	Kubo, Hiromu; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Hasegawa, Jun-Ya; Matsuda, Kenji
Journal of publication	The journal of physical chemistry letters
Year of publication	2021
Journal volume	12
Journal issue	1
Pages of publication	686 - 695
a	13.7963 ± 0.0005 Å
b	12.6757 ± 0.0004 Å
c	13.3735 ± 0.0005 Å
α	90°
β	98.305 ± 0.0012°
γ	90°
Cell volume	2314.2 ± 0.14 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
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	0.0414
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261494 (current)	2021-02-04	cif/ Adding structures of 8000473 via cif-deposit CGI script.	8000473.cif