Crystallography Open Database

Information card for entry 7134230

Preview

Coordinates	7134230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H43 Cl3 N6 O2
Calculated formula	C51 H43 Cl3 N6 O2
Title of publication	Visible light-induced photoisomerization of indole-oxindole constructs: molecular disassembly and ROS-mediated apoptosis.
Authors of publication	Tyagi, Kartikay; Dixit, Tejal; Venkatesh, V.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	19
Pages of publication	3892 - 3895
a	19.8975 ± 0.0009 Å
b	7.5952 ± 0.0003 Å
c	28.4543 ± 0.0012 Å
α	90°
β	95.405 ± 0.001°
γ	90°
Cell volume	4281.1 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0969
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
298027 (current)	2025-03-04	cif/ Updating files of 7134227, 7134228, 7134229, 7134230, 7134231 Original log message: Adding full bibliography for 7134227--7134231.cif.	7134230.cif
297588	2025-02-05	cif/ Adding structures of 7134227, 7134228, 7134229, 7134230, 7134231 via cif-deposit CGI script.	7134230.cif