Crystallography Open Database

Information card for entry 7716359

Preview

Coordinates	7716359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 B F2 N3 O2
Calculated formula	C27 H18 B F2 N3 O2
Title of publication	Synthesis and studies of covalently linked (BODIPY)<sub>2</sub>-3-pyrrolyl BODIPY triads.
Authors of publication	Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	27
Pages of publication	11543 - 11555
a	11.489 ± 0.002 Å
b	19.692 ± 0.003 Å
c	9.7156 ± 0.0018 Å
α	90°
β	108.98 ± 0.007°
γ	90°
Cell volume	2078.6 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0597
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.0594
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
293846 (current)	2024-08-05	cif/ Updating files of 7716356, 7716357, 7716358, 7716359 Original log message: Adding full bibliography for 7716356--7716359.cif.	7716359.cif
292333	2024-06-13	cif/ Adding structures of 7716356, 7716357, 7716358, 7716359 via cif-deposit CGI script.	7716359.cif