Crystallography Open Database

Information card for entry 7121892

Preview

Coordinates	7121892.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pinkment-OH
Formula	C32 H39 B2 Cl2 N O6
Calculated formula	C32 H39 B2 Cl2 N O6
Title of publication	'AND'-based fluorescence scaffold for the detection of ROS/RNS and a second analyte.
Authors of publication	Odyniec, Maria L.; Sedgwick, Adam C.; Swan, Alexander H.; Weber, Maria; Tang, T. M. Simon; Gardiner, Jordan E.; Zhang, Miao; Jiang, Yun-Bao; Kociok-Kohn, Gabriele; Elmes, Robert B. P.; Bull, Steven D.; He, Xiao-Peng; James, Tony D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	61
Pages of publication	8466 - 8469
a	21.0386 ± 0.0006 Å
b	12.0671 ± 0.0003 Å
c	12.7442 ± 0.0004 Å
α	90°
β	91.25 ± 0.003°
γ	90°
Cell volume	3234.66 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228565 (current)	2019-11-17	cif/ Updating files of 7121892 Original log message: Adding full bibliography for 7121892.cif.	7121892.cif
208669	2018-06-27	cif/ Adding structures of 7121892 via cif-deposit CGI script.	7121892.cif