Crystallography Open Database

Information card for entry 7159708

Preview

Coordinates	7159708.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Compound 1a
Formula	C37 H25 F12 N7 O5
Calculated formula	C37 H25 F12 N7 O5
Title of publication	Molecular clips with spatially proximal urea residues for efficient transmembrane co-transport of H<sup>+</sup>/Cl<sup>-</sup> ions.
Authors of publication	Pradhan, Nyaya Prakash; Namdev, Kavthekar Rupesh; Srivastava, Aasheesh
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	22
Journal issue	1
Pages of publication	74 - 79
a	10.587 ± 0.002 Å
b	15.112 ± 0.003 Å
c	16.143 ± 0.003 Å
α	107.182 ± 0.012°
β	102.52 ± 0.013°
γ	106.296 ± 0.011°
Cell volume	2238.3 ± 0.8 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1494
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1872
Weighted residual factors for all reflections included in the refinement	0.2267
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
289607 (current)	2024-02-04	cif/ Updating files of 7159708 Original log message: Adding full bibliography for 7159708.cif.	7159708.cif
288066	2023-12-06	cif/ Adding structures of 7159708 via cif-deposit CGI script.	7159708.cif