Crystallography Open Database

Information card for entry 7125717

Preview

Coordinates	7125717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H40 B F2 N3 O S
Calculated formula	C43 H40 B F2 N3 O S
Title of publication	An exceptionally long-lived triplet state of red light-absorbing compact phenothiazine-styrylBodipy electron donor/acceptor dyads: a better alternative to the heavy atom-effect?
Authors of publication	Hou, Yuqi; Liu, Qingyun; Zhao, Jianzhang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	11
Pages of publication	1721 - 1724
a	32.32 ± 0.004 Å
b	16.5482 ± 0.0018 Å
c	16.796 ± 0.002 Å
α	90°
β	118.803 ± 0.002°
γ	90°
Cell volume	7871.8 ± 1.6 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 K
Number of distinct elements	7
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	0.2304
Residual factor for significantly intense reflections	0.1397
Weighted residual factors for significantly intense reflections	0.3812
Weighted residual factors for all reflections included in the refinement	0.4301
Goodness-of-fit parameter for all reflections included in the refinement	1.363
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
248851 (current)	2020-03-05	cif/ Updating files of 7125717, 7125718 Original log message: Adding full bibliography for 7125717--7125718.cif.	7125717.cif
246449	2020-01-03	cif/ Adding structures of 7125717, 7125718 via cif-deposit CGI script.	7125717.cif