Crystallography Open Database

Information card for entry 7240104

Preview

Coordinates	7240104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H58 Cl8 N10 O6
Calculated formula	C66 H58 Cl8 N10 O6
Title of publication	Regio- and stereoselective synthesis of spiropyrrolidine-oxindole and bis-spiropyrrolizidine-oxindole grafted macrocycles through [3 + 2] cycloaddition of azomethine ylides
Authors of publication	Prabhakaran, Perumal; Rajakumar, Perumal
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	17
Pages of publication	10263 - 10276
a	16.8951 ± 0.0003 Å
b	18.5524 ± 0.0003 Å
c	10.2114 ± 0.0002 Å
α	90°
β	96.339 ± 0.002°
γ	90°
Cell volume	3181.14 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258044 (current)	2020-10-06	cif/ Updating files of 7240104 Original log message: Adding full bibliography for 7240104.cif.	7240104.cif
249267	2020-03-11	cif/ Adding structures of 7240104 via cif-deposit CGI script.	7240104.cif