Crystallography Open Database

Information card for entry 7240760

Preview

Coordinates	7240760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H33 N5 O4
Calculated formula	C37 H33 N5 O4
SMILES	O=N(=O)[C@@H]1[C@@H](N[C@@]2(c3nc4c(nc3c3c2cccc3)cccc4)[C@H]1c1ccc(cc1)C)Cc1c2c([nH]c1)cccc2.O=C(OC)C.O=N(=O)[C@H]1[C@H](N[C@]2(c3nc4c(nc3c3c2cccc3)cccc4)[C@@H]1c1ccc(cc1)C)Cc1c2c([nH]c1)cccc2.O=C(OC)C
Title of publication	Regio- and diastereoselective synthesis of spiropyrroloquinoxaline grafted indole heterocyclic hybrids and evaluation of their anti-Mycobacterium tuberculosis activity
Authors of publication	Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Mohammad Ali Al-Aizari, Abdul Jaleel; Alaqeel, Shatha Ibrahim; Kansız, Sevgi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Dege, Necmi
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	40
Pages of publication	23522 - 23531
a	11.5002 ± 0.0007 Å
b	11.7543 ± 0.0008 Å
c	14.3642 ± 0.001 Å
α	97.266 ± 0.005°
β	106.616 ± 0.005°
γ	111.9 ± 0.005°
Cell volume	1666 ± 0.2 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	0.1384
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.2179
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
258086 (current)	2020-10-06	cif/ Updating files of 7240760 Original log message: Adding full bibliography for 7240760.cif.	7240760.cif
253288	2020-06-20	cif/ Adding structures of 7240760 via cif-deposit CGI script.	7240760.cif