Crystallography Open Database

Information card for entry 7054845

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Coordinates	7054845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H45 B F2 N2 O4
Calculated formula	C48 H45 B F2 N2 O4
Title of publication	Biphenyl appended BODIPY derivatives showing combined environmental polarity and heavy metal cation sensing functionality
Authors of publication	Richards, Gary James; Gobo, Yuki; Yamamura, Masaki; Nabeshima, Tatsuya
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	8
Pages of publication	5886
a	14.0234 ± 0.0006 Å
b	28.7145 ± 0.0013 Å
c	11.204 ± 0.0005 Å
α	90°
β	115.449 ± 0.002°
γ	90°
Cell volume	4073.8 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0589
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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