Crystallography Open Database

Information card for entry 1575812

Preview

Coordinates	1575812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 F24 N2 O4 Ti
Calculated formula	C18 H18 F24 N2 O4 Ti
Title of publication	Exploring untapped potential of the molecular precursor approach to control the fluorine-doping in mesostructured titania for acid catalysis
Authors of publication	Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank
Journal of publication	Catalysis Science & Technology
Year of publication	2025
a	15.9682 ± 0.0002 Å
b	12.0478 ± 0.0001 Å
c	28.9061 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5561 ± 0.1 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
302169 (current)	2025-09-18	cif/ Adding structures of 1575809, 1575810, 1575811, 1575812, 1575813, 1575814, 1575815, 1575816 via cif-deposit CGI script.	1575812.cif