Crystallography Open Database

Information card for entry 1573808

Preview

Coordinates	1573808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H80.01 O7 P2
Calculated formula	C70 H80.0066 O7 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	22.2953 ± 0.001 Å
b	32.7948 ± 0.001 Å
c	8.1542 ± 0.0003 Å
α	90°
β	101.91 ± 0.002°
γ	90°
Cell volume	5833.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.1585
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.228
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.	1573808.cif
297529	2025-01-30	cif/ Adding structures of 1573806, 1573807, 1573808, 1573809, 1573810 via cif-deposit CGI script.	1573808.cif