Crystallography Open Database

Information card for entry 7236050

Preview

Coordinates	7236050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H82 N8 O9
Calculated formula	C94 H56 N8 O9
Title of publication	Trace amount CuII (ppm) and mixture design of CuII/PdII catalyzed Suzuki cross-coupling reactions based on the cooperative interaction of metal with a conjugated pyridylspirobifluorene
Authors of publication	Li, Xing; Zhang, Jie; Zhao, Yayun; Zhao, Xiuhua; Li, Feng; Li, Taohai; Li, H. L.; Chen, Liang
Journal of publication	Journal of Materials Chemistry A
Year of publication	2015
Journal volume	3
Journal issue	12
Pages of publication	6265
a	14.285 ± 0.009 Å
b	15.991 ± 0.01 Å
c	20.393 ± 0.012 Å
α	69.009 ± 0.009°
β	71.138 ± 0.008°
γ	88.044 ± 0.009°
Cell volume	4098 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2907
Residual factor for significantly intense reflections	0.1108
Weighted residual factors for significantly intense reflections	0.2902
Weighted residual factors for all reflections included in the refinement	0.3952
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
233873 (current)	2019-11-23	cif/ Adding structures of 7236050 via cif-deposit CGI script.	7236050.cif