Crystallography Open Database

Information card for entry 7160181

Preview

Coordinates	7160181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 N2 O
Calculated formula	C36 H28 N2 O
Title of publication	Asymmetric [3 + 3] cycloaddition of cinnamaldehyde-derived <i>N</i>-aryl nitrones with 2-indolemethanols enabled by chiral phosphoric acid.
Authors of publication	Zou, Ning; Wu, Yu-Zheng; Shang, Zi-Wei; Cao, Yu-Wei; Liao, Li-Min; Wei, Cui; Mo, Dong-Liang; Zhou, Wen-Jun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	46
Pages of publication	9047 - 9052
a	10.2072 ± 0.0006 Å
b	10.9695 ± 0.0005 Å
c	13.5745 ± 0.0006 Å
α	69.772 ± 0.004°
β	69.194 ± 0.005°
γ	76.134 ± 0.004°
Cell volume	1321.28 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296685 (current)	2024-12-06	cif/ Updating files of 7160181 Original log message: Adding full bibliography for 7160181.cif.	7160181.cif
295487	2024-10-15	cif/ Adding structures of 7160181 via cif-deposit CGI script.	7160181.cif