Crystallography Open Database

Information card for entry 1568948

Preview

Coordinates	1568948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 I N2 O5 S
Calculated formula	C27 H25 I N2 O5 S
Title of publication	Nitrogen-interrupted <i>halo</i>-Prins/<i>halo</i>-Nazarov fragment coupling cascade for the synthesis of indolines.
Authors of publication	Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	20
Pages of publication	5431 - 5437
a	10.3499 ± 0.0002 Å
b	11.4812 ± 0.0002 Å
c	11.8168 ± 0.0002 Å
α	83.79 ± 0.002°
β	76.551 ± 0.002°
γ	65.058 ± 0.002°
Cell volume	1238.22 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0292
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284222 (current)	2023-06-05	cif/ Updating files of 1568947, 1568948, 1568949 Original log message: Adding full bibliography for 1568947--1568949.cif.	1568948.cif
282810	2023-04-25	cif/ Adding structures of 1568947, 1568948, 1568949 via cif-deposit CGI script.	1568948.cif