Crystallography Open Database

Information card for entry 7063043

Preview

Coordinates	7063043.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-PYRROLYL BODIPY-BODIPY DYAD
Formula	C35 H25 B2 F4 N5
Calculated formula	C35 H25 B2 F4 N5
Title of publication	Synthesis and properties of covalently linked phenyl bridged 3-pyrrolyl BODIPY–BODIPY dyads
Authors of publication	Sarkar, Abani; Behera, Kanhu Charan; Tumsare, Ankit; Ravikanth, Mangalampalli
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	12
Pages of publication	5362 - 5371
a	10.2752 ± 0.0009 Å
b	11.7931 ± 0.0014 Å
c	12.4578 ± 0.0013 Å
α	80.037 ± 0.009°
β	76.494 ± 0.008°
γ	89.59 ± 0.009°
Cell volume	1444.8 ± 0.3 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 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	0.0689
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.0601
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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