Crystallography Open Database

Information card for entry 7239843

Preview

Coordinates	7239843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 B F2 I2 N2 O
Calculated formula	C19 H17 B F2 I2 N2 O
Title of publication	Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.
Authors of publication	Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2020
Journal volume	22
Journal issue	7
Pages of publication	4072 - 4079
a	21.8579 ± 0.0004 Å
b	10.5698 ± 0.0002 Å
c	18.2672 ± 0.0004 Å
α	90°
β	112.645 ± 0.001°
γ	90°
Cell volume	3894.98 ± 0.14 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
249056 (current)	2020-03-05	cif/ Updating files of 7239842, 7239843 Original log message: Adding full bibliography for 7239842--7239843.cif.	7239843.cif
247373	2020-01-30	cif/ Adding structures of 7239842, 7239843 via cif-deposit CGI script.	7239843.cif