Crystallography Open Database

Information card for entry 7245574

Preview

Coordinates	7245574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Cl3 N2 O3
Calculated formula	C24 H23 Cl3 N2 O3
SMILES	ClC(Cl)Cl.O(c1c(OC)cc2nn3c(c4c(c5c3CC(CC5=O)(C)C)cccc4)c2c1)C
Title of publication	Synthesis of dihydroindazolo[2,3-f]phenanthridin-5(6H)-ones via Rh(iii)-catalyzed C–H activation of 2-aryl indazoles and annulation with iodonium ylides
Authors of publication	Liang, Jiazhi; Huang, Jian; Yang, Qin; Fu, Yang; Ding, Qiuping; Peng, Yiyuan
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	21
Pages of publication	8441 - 8446
a	5.819 ± 0.0002 Å
b	9.8242 ± 0.0004 Å
c	20.3104 ± 0.001 Å
α	92.796 ± 0.004°
β	92.658 ± 0.003°
γ	95.189 ± 0.003°
Cell volume	1153.44 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
278991 (current)	2022-11-07	cif/ Updating files of 7245574 Original log message: Adding full bibliography for 7245574.cif.	7245574.cif
278258	2022-09-29	cif/ Adding structures of 7245574 via cif-deposit CGI script.	7245574.cif