Crystallography Open Database

Information card for entry 7716358

Preview

Coordinates	7716358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H28 B3 F6 N7
Calculated formula	C43 H28 B3 F6 N7
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	8.9117 ± 0.0014 Å
b	12.6161 ± 0.0017 Å
c	17.867 ± 0.003 Å
α	108.165 ± 0.005°
β	98.751 ± 0.006°
γ	101.583 ± 0.006°
Cell volume	1819.4 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1224
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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.	7716358.cif
292333	2024-06-13	cif/ Adding structures of 7716356, 7716357, 7716358, 7716359 via cif-deposit CGI script.	7716358.cif