Crystallography Open Database

Information card for entry 7056748

Preview

Coordinates	7056748.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	68dmprsp
Chemical name	68dmprsp
Formula	C39 H30 Cl N4 O
Calculated formula	C39 H30 Cl N4 O
SMILES	c1(c(cc2cc(cc(c2n1)C)C)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@H]2CCCN2[C@]21c1ccccc1c1c2nc2ccccc2n1)Cl.c1(c(cc2cc(cc(c2n1)C)C)[C@H]1[C@H](C(=O)c2ccccc2)[C@@H]2CCCN2[C@@]21c1ccccc1c1c2nc2ccccc2n1)Cl
Title of publication	A facile atom economic one pot multicomponent synthesis of bioactive spiro-indenoquinoxaline pyrrolizines as potent antioxidants and anti-cancer agents
Authors of publication	Saravana Mani, Kailasam; Kaminsky, Werner; Rajendran, Subramaniam Parameswaran
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	1
Pages of publication	301
a	9.708 ± 0.0012 Å
b	11.5722 ± 0.0015 Å
c	14.215 ± 0.002 Å
α	91.344 ± 0.007°
β	99.494 ± 0.007°
γ	106.741 ± 0.007°
Cell volume	1504.1 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.1646
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	0.897
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
230221 (current)	2019-11-17	cif/ Updating files of 7056748 Original log message: Adding full bibliography for 7056748.cif.	7056748.cif
203143	2017-11-14	cif/ Adding structures of 7056748 via cif-deposit CGI script.	7056748.cif