Crystallography Open Database

Information card for entry 7231484

Preview

Coordinates	7231484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 O3
Calculated formula	C36 H32 O3
Title of publication	Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.
Authors of publication	Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	37
Pages of publication	23851 - 23855
a	18.1516 ± 0.0015 Å
b	10.532 ± 0.001 Å
c	28.615 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5470.4 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.152
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	0.934
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
230904 (current)	2019-11-17	cif/ Updating files of 7231483, 7231484, 7231485, 7231486, 7231487 Original log message: Adding full bibliography for 7231483--7231487.cif.	7231484.cif
210384	2018-09-04	cif/ Adding structures of 7231483, 7231484, 7231485, 7231486, 7231487 via cif-deposit CGI script.	7231484.cif