Crystallography Open Database

Information card for entry 7235256

Preview

Coordinates	7235256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H56 Br12 N12 O5
Calculated formula	C96 H56 Br12 N12 O5
Title of publication	Nano Au/Pd-catalysed ‘on-water’ synthesis of C3‒C3′ diaryl-oxindole scaffolds via N2-selective dearomatization of indole
Authors of publication	Gohain, Shivanee Borpatra; Basumatary, Monika; Boruah, Purna K.; Das, Manash R.; Thakur, Ashim Jyoti
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	1
Pages of publication	170 - 179
a	8.6559 ± 0.0005 Å
b	15.6308 ± 0.0009 Å
c	16.2787 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2202.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1928
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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
257573 (current)	2020-10-06	cif/ Updating files of 7235256 Original log message: Adding full bibliography for 7235256.cif.	7235256.cif
247757	2020-02-04	cif/ Updating files of 7235256 Original log message: Adding full bibliography for 7235256.cif.	7235256.cif
232197	2019-11-23	cif/ Adding structures of 7235256 via cif-deposit CGI script.	7235256.cif