Crystallography Open Database

Information card for entry 7157514

Preview

Coordinates	7157514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H59 B F2 N4 O6
Calculated formula	C59 H59 B F2 N4 O6
Title of publication	Pyrrole-based anion-responsive π-electronic molecules as fluorescence sensors responsive to multiple stimuli.
Authors of publication	Sugiura, Shinya; Maeda, Hiromitsu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	23
Pages of publication	4433 - 4438
a	27.487 ± 0.002 Å
b	11.9733 ± 0.001 Å
c	19.9835 ± 0.0017 Å
α	90°
β	132.48 ± 0.009°
γ	90°
Cell volume	4850.5 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.042
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.4115 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257923 (current)	2020-10-06	cif/ Updating files of 7157514 Original log message: Adding full bibliography for 7157514.cif.	7157514.cif
253989	2020-07-06	cif/ Updating files of 7157514 Original log message: Adding full bibliography for 7157514.cif.	7157514.cif
252368	2020-05-27	cif/ Adding structures of 7157514 via cif-deposit CGI script.	7157514.cif