Crystallography Open Database

Information card for entry 1571308

Preview

Coordinates	1571308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 N2 O3 S
Calculated formula	C32 H26 N2 O3 S
Title of publication	Rh(iii)-catalyzed sp<sup>3</sup>/sp<sup>2</sup>-C-H heteroarylations <i>via</i> cascade C-H activation and cyclization.
Authors of publication	Chaturvedi, Atul K.; Shukla, Rahul K.; Volla, Chandra M. R.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	17
Pages of publication	6544 - 6551
a	13.827 ± 0.0008 Å
b	11.0385 ± 0.0005 Å
c	16.8969 ± 0.0007 Å
α	90°
β	92.719 ± 0.004°
γ	90°
Cell volume	2576.1 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
291563 (current)	2024-05-05	cif/ Updating files of 1571308, 1571309 Original log message: Adding full bibliography for 1571308--1571309.cif.	1571308.cif
290699	2024-03-29	cif/ Adding structures of 1571308, 1571309 via cif-deposit CGI script.	1571308.cif