Crystallography Open Database

Information card for entry 7154551

Preview

Coordinates	7154551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 N4 O3 S
Calculated formula	C36 H36 N4 O3 S
Title of publication	One-pot synthesis of spiropyrroloquinoline-isoindolinone and their aza-analogs via the Ugi-4CR/metal-free intramolecular bis-annulation process.
Authors of publication	Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	30
Pages of publication	8211 - 8220
a	11.299 ± 0.002 Å
b	11.724 ± 0.002 Å
c	14.051 ± 0.003 Å
α	104.1 ± 0.03°
β	103.64 ± 0.03°
γ	108.92 ± 0.03°
Cell volume	1604 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.064
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
153263 (current)	2015-08-08	cif/ Updating files of 7154550, 7154551 Original log message: Adding full bibliography for 7154550--7154551.cif.	7154551.cif
139665	2015-06-26	cif/ Adding structures of 7154550, 7154551 via cif-deposit CGI script.	7154551.cif