Crystallography Open Database

Information card for entry 7243843

Preview

Coordinates	7243843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N O4
Calculated formula	C25 H25 N O4
SMILES	O(C(=O)C1(C[C@@]2([C@H](C1)C(=C)C)C(=Nc1c2cccc1)c1ccccc1)C(=O)OC)C.O(C(=O)C1(C[C@]2([C@@H](C1)C(=C)C)C(=Nc1c2cccc1)c1ccccc1)C(=O)OC)C
Title of publication	I2-induced cascade cyclization and dearomatization of indoles for the highly efficient synthesis of iodinated and vinylic spiroindolenines
Authors of publication	Wei, Xiaohui; Liang, Xuewu; Li, Yazhou; Liu, Qi; Liu, Xuyi; Zhou, Yu; Liu, Hong
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	22
Pages of publication	9165 - 9171
a	9.216 ± 0.005 Å
b	21.035 ± 0.01 Å
c	10.878 ± 0.006 Å
α	90°
β	98.207 ± 0.019°
γ	90°
Cell volume	2087.2 ± 1.9 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
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	0.1381
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
271848 (current)	2022-01-06	cif/ Updating files of 7243842, 7243843, 7243844 Original log message: Adding full bibliography for 7243842--7243844.cif.	7243843.cif
270318	2021-11-05	cif/ Adding structures of 7243842, 7243843, 7243844 via cif-deposit CGI script.	7243843.cif