Crystallography Open Database

Information card for entry 7158352

Preview

Coordinates	7158352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 N3 O3
Calculated formula	C18 H23 N3 O3
SMILES	c1(ccc(cc1)NC(=O)NCC12CC3CC(C1)CC(C2)C3)N(=O)=O
Title of publication	Delivering anion transporters to lipid bilayers in water.
Authors of publication	McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	44
Pages of publication	9624 - 9628
a	13.6962 ± 0.0003 Å
b	13.6338 ± 0.0002 Å
c	9.271 ± 0.0002 Å
α	90°
β	104.983 ± 0.003°
γ	90°
Cell volume	1672.33 ± 0.06 Å³
Cell temperature	150 ± 0.18 K
Ambient diffraction temperature	150 ± 0.18 K
Number of distinct elements	4
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	0.0675
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.1521
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
271210 (current)	2021-12-07	cif/ Updating files of 7158352, 7158353, 7158354 Original log message: Adding full bibliography for 7158352--7158354.cif.	7158352.cif
270142	2021-10-29	cif/ Adding structures of 7158352, 7158353, 7158354 via cif-deposit CGI script.	7158352.cif