Crystallography Open Database

Information card for entry 7242385

Preview

Coordinates	7242385.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	BDP-3
Formula	C46 H34 B F2 N3 O6 S2
Calculated formula	C46 H34 B F2 N3 O6 S2
Title of publication	A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection
Authors of publication	Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	17
Pages of publication	10154 - 10158
a	16.04 ± 0.003 Å
b	17.1 ± 0.003 Å
c	17.864 ± 0.004 Å
α	116.45 ± 0.03°
β	103.07 ± 0.03°
γ	103.99 ± 0.03°
Cell volume	3930 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1383
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.2975
Weighted residual factors for all reflections included in the refinement	0.3206
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262987 (current)	2021-03-11	cif/ Adding structures of 7242384, 7242385, 7242386, 7242387 via cif-deposit CGI script.	7242385.cif