Crystallography Open Database

Information card for entry 7126526

Preview

Coordinates	7126526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H108 B2 N8
Calculated formula	C94 H108 B2 N8
Title of publication	Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.
Authors of publication	Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	50
Pages of publication	6794 - 6797
a	16.5767 ± 0.0016 Å
b	22.881 ± 0.002 Å
c	24.197 ± 0.002 Å
α	78.233 ± 0.003°
β	71.81 ± 0.003°
γ	85.539 ± 0.003°
Cell volume	8534.9 ± 1.3 Å³
Cell temperature	100.03 K
Ambient diffraction temperature	100.03 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	0.0974
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
253799 (current)	2020-07-06	cif/ Updating files of 7126523, 7126524, 7126525, 7126526, 7126527 Original log message: Adding full bibliography for 7126523--7126527.cif.	7126526.cif
252002	2020-05-13	cif/ Adding structures of 7126523, 7126524, 7126525, 7126526, 7126527 via cif-deposit CGI script.	7126526.cif