Crystallography Open Database

Information card for entry 7160513

Preview

Coordinates	7160513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 N O2
Calculated formula	C24 H29 N O2
Title of publication	Pd-catalyzed efficient synthesis of 3-formylindole derivatives with diaziridinone.
Authors of publication	Wang, Jianjun; Yang, E.; Liu, Wei; Zhang, Shiwei; Shi, Yian
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	20
Pages of publication	5006 - 5015
a	31.5114 ± 0.0003 Å
b	31.5114 ± 0.0003 Å
c	9.2754 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9210.2 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1206
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.187
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.167
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301148 (current)	2025-07-06	cif/ Updating files of 7160513, 7160514 Original log message: Adding full bibliography for 7160513--7160514.cif.	7160513.cif
299378	2025-04-24	cif/ Adding structures of 7160513, 7160514 via cif-deposit CGI script.	7160513.cif