Crystallography Open Database

Information card for entry 1573807

Preview

Coordinates	1573807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H76 Cl6 O4 P2
Calculated formula	C72 H76 Cl6 O4 P2
Title of publication	From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.
Authors of publication	Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	8
Pages of publication	3680 - 3692
a	8.2286 ± 0.0003 Å
b	11.7231 ± 0.0004 Å
c	17.5716 ± 0.0006 Å
α	92.692 ± 0.001°
β	93.084 ± 0.001°
γ	108.449 ± 0.001°
Cell volume	1601.93 ± 0.1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0594
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
298108 (current)	2025-03-04	cif/ Updating files of 1573806, 1573807, 1573808, 1573809, 1573810 Original log message: Adding full bibliography for 1573806--1573810.cif.	1573807.cif
297529	2025-01-30	cif/ Adding structures of 1573806, 1573807, 1573808, 1573809, 1573810 via cif-deposit CGI script.	1573807.cif