Crystallography Open Database

Information card for entry 1565271

Preview

Coordinates	1565271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 B F2 N2 O2
Calculated formula	C20 H27 B F2 N2 O2
SMILES	F[B]1(F)[n]2c(=C(c3n1c(C)c(c3C)CC)COC(=O)C)c(c(c2C)CC)C
Title of publication	Green-light photocleavable meso-methyl BODIPY building blocks for macromolecular chemistry
Authors of publication	Strasser, Paul; Russo, Marina; Stadler, Pauline; Breiteneder, Patrick; Redhammer, Günther; Himmelsbach, Markus; Brüggemann, Oliver; Monkowius, Uwe; Klán, Petr; Teasdale, Ian
Journal of publication	Polymer Chemistry
Year of publication	2021
Journal volume	12
Journal issue	47
Pages of publication	6927 - 6936
a	17.1373 ± 0.0013 Å
b	11.7136 ± 0.0009 Å
c	20.6062 ± 0.0015 Å
α	90°
β	99.046 ± 0.001°
γ	90°
Cell volume	4085 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0886
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1935
Weighted residual factors for all reflections included in the refinement	0.2163
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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
271876 (current)	2022-01-07	cif/ Updating files of 1565270, 1565271 Original log message: Adding full bibliography for 1565270--1565271.cif.	1565271.cif
270710	2021-11-17	cif/ Adding structures of 1565270, 1565271 via cif-deposit CGI script.	1565271.cif