Crystallography Open Database

Information card for entry 4032576

Preview

Coordinates	4032576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 N4 O8
Calculated formula	C52 H48 N4 O8
Title of publication	Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.
Authors of publication	Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	13
Pages of publication	6904 - 6912
a	8.1443 ± 0.0016 Å
b	18.723 ± 0.004 Å
c	14.403 ± 0.003 Å
α	90°
β	98.79 ± 0.03°
γ	90°
Cell volume	2170.5 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200682 (current)	2017-09-12	cif/ Updating files of 4032575, 4032576 Original log message: Adding full bibliography for 4032575--4032576.cif.	4032576.cif
197721	2017-06-10	cif/ Adding structures of 4032576 via cif-deposit CGI script.	4032576.cif