Crystallography Open Database

Information card for entry 1550767

Preview

Coordinates	1550767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H40 Br4 Cl4 N4
Calculated formula	C62 H40 Br4 Cl4 N4
Title of publication	Origin of the isotropic motion in crystalline molecular rotors with carbazole stators
Authors of publication	Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio
Journal of publication	Chemical Science
Year of publication	2019
a	9.2687 ± 0.0009 Å
b	17.9615 ± 0.0019 Å
c	8.2589 ± 0.0009 Å
α	90°
β	94.185 ± 0.003°
γ	90°
Cell volume	1371.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0834
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1837
Weighted residual factors for all reflections included in the refinement	0.1989
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
214234 (current)	2019-03-21	cif/ Adding structures of 1550767, 1550768, 1550769, 1550770, 1550771 via cif-deposit CGI script.	1550767.cif