Crystallography Open Database

Information card for entry 1571276

Preview

Coordinates	1571276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 F3 N2 O6 S3
Calculated formula	C16 H13 F3 N2 O6 S3
Title of publication	Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.
Authors of publication	Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	16
Pages of publication	5938 - 5943
a	8.8939 ± 0.0005 Å
b	10.6953 ± 0.0007 Å
c	11.302 ± 0.0008 Å
α	109.349 ± 0.002°
β	98.738 ± 0.002°
γ	98.497 ± 0.002°
Cell volume	979.7 ± 0.11 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
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
291570 (current)	2024-05-05	cif/ Updating files of 1571276, 1571277, 1571278, 1571279, 1571280, 1571281, 1571282, 1571283, 1571284, 1571285, 1571286, 1571287, 1571288, 1571289, 1571290 Original log message: Adding full bibliography for 1571276--1571290.cif.	1571276.cif
290628	2024-03-26	cif/ Adding structures of 1571276, 1571277, 1571278, 1571279, 1571280, 1571281, 1571282, 1571283, 1571284, 1571285, 1571286, 1571287, 1571288, 1571289, 1571290 via cif-deposit CGI script.	1571276.cif