Crystallography Open Database

Information card for entry 7121317

Preview

Coordinates	7121317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H21 N2 P Se
Calculated formula	C30 H21 N2 P Se
Title of publication	Selenide-containing organic resonance molecules as turn-on fluorescent probes for the selective detection of hypochlorous acid.
Authors of publication	Jiang, He; Jia, Linlin; Li, Yuanyuan; Liu, Sirui; Chen, Runfeng; Jin, Lu; Jin, Jibiao; Zheng, Chao; Fan, Quli; Huang, Wei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	23
Pages of publication	2926 - 2929
a	9.5713 ± 0.0014 Å
b	11.6043 ± 0.0017 Å
c	12.0406 ± 0.0017 Å
α	72.019 ± 0.003°
β	68.768 ± 0.003°
γ	73.861 ± 0.003°
Cell volume	1164.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0564
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
228454 (current)	2019-11-17	cif/ Updating files of 7121315, 7121316, 7121317 Original log message: Adding full bibliography for 7121315--7121317.cif.	7121317.cif
206632	2018-02-24	cif/ Adding structures of 7121315, 7121316, 7121317 via cif-deposit CGI script.	7121317.cif