Crystallography Open Database

Information card for entry 7241413

Preview

Coordinates	7241413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H115 N14 O9
Calculated formula	C62 H115 N14 O9
Title of publication	Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines
Authors of publication	Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	22
Pages of publication	7832 - 7838
a	12.8442 ± 0.0007 Å
b	17.5019 ± 0.0009 Å
c	18.6407 ± 0.0009 Å
α	63.996 ± 0.001°
β	70.836 ± 0.001°
γ	69.475 ± 0.001°
Cell volume	3450.4 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 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	0.1006
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.228
Weighted residual factors for all reflections included in the refinement	0.2485
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
259604 (current)	2020-12-06	cif/ Updating files of 7241409, 7241410, 7241411, 7241412, 7241413 Original log message: Adding full bibliography for 7241409--7241413.cif.	7241413.cif
258457	2020-10-18	cif/ Adding structures of 7241409, 7241410, 7241411, 7241412, 7241413 via cif-deposit CGI script.	7241413.cif