Crystallography Open Database

Information card for entry 7241411

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Structure parameters

Formula	C27 H47 N7 S2
Calculated formula	C27 H47 N7 S2
SMILES	[S-]C(=S)N(/C(=N/c1n(C(C)C)c(c([n+]1C(C)C)C)C)N=C1N(C(=C(N1C(C)C)C)C)C(C)C)C(C)C
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	11.9503 ± 0.0006 Å
b	12.9375 ± 0.0006 Å
c	19.6351 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3035.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7241411.cif
259604	2020-12-06	cif/ Updating files of 7241409, 7241410, 7241411, 7241412, 7241413 Original log message: Adding full bibliography for 7241409--7241413.cif.	7241411.cif
258457	2020-10-18	cif/ Adding structures of 7241409, 7241410, 7241411, 7241412, 7241413 via cif-deposit CGI script.	7241411.cif