Crystallography Open Database

Information card for entry 7244986

Preview

Coordinates	7244986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 N2 O3
Calculated formula	C30 H22 N2 O3
SMILES	c1ccc2c3c1ccc1c3c(cc2)ccc1[C@@H]1[C@@]23[C@](C(=O)O1)(c1c(cccc1)NC3=O)N(CC2)C.c1ccc2c3c1ccc1c3c(cc2)ccc1[C@H]1[C@]23[C@@](C(=O)O1)(c1c(cccc1)NC3=O)N(CC2)C
Title of publication	Environmentally friendly domino multicomponent strategy for the synthesis of pyrroloquinolinone hybrid heterocycles
Authors of publication	Mani, Suresh; Raju, Rajesh; Raghunathan, Raghavacharry; Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Perumal, Karthikeyan
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	24
Pages of publication	15440 - 15446
a	9.2325 ± 0.0006 Å
b	10.3765 ± 0.0007 Å
c	12.0442 ± 0.0008 Å
α	77.914 ± 0.004°
β	82.549 ± 0.004°
γ	81.437 ± 0.004°
Cell volume	1109.89 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
275654 (current)	2022-05-26	cif/ Adding structures of 7244986 via cif-deposit CGI script.	7244986.cif