Crystallography Open Database

Information card for entry 1572157

Preview

Coordinates	1572157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H69 Ca2 Cl4 I2 N8 O4
Calculated formula	C49 H69 Ca2 Cl4 I2 N8 O4
Title of publication	Calcium-catalysed ring-opening copolymerisation of epoxides and cyclic anhydrides
Authors of publication	Francés-Poveda, Enrique; Martínez de Sarasa Buchaca, Marc; Moya-López, Carmen; Vitorica-Yrezabal, Iñigo J.; López-Solera, Isabel; Castro-Osma, José A.; la Cruz-Martínez, Felipe de; Lara-Sánchez, Agustín
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	32
Pages of publication	3238 - 3245
a	12.835 ± 0.002 Å
b	17.351 ± 0.003 Å
c	26.132 ± 0.005 Å
α	90°
β	95.473 ± 0.006°
γ	90°
Cell volume	5793.1 ± 1.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
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	0.1283
Residual factor for significantly intense reflections	0.1078
Weighted residual factors for significantly intense reflections	0.278
Weighted residual factors for all reflections included in the refinement	0.2911
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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
294644 (current)	2024-09-06	cif/ Updating files of 1572157, 1572158 Original log message: Adding full bibliography for 1572157--1572158.cif.	1572157.cif
293521	2024-07-24	cif/ Adding structures of 1572157, 1572158 via cif-deposit CGI script.	1572157.cif