Crystallography Open Database

Information card for entry 1573284

Preview

Coordinates	1573284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H16 N3 O
Calculated formula	C27 H16 N3 O
Title of publication	π-Curved Blatter radicals: Blatter helicenes.
Authors of publication	Singh, Hemant K.; Bodzioch, Agnieszka; Pietrzak, Anna; Kaszyński, Piotr
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	3
Pages of publication	496 - 499
a	43.189 ± 0.0005 Å
b	43.189 ± 0.0005 Å
c	5.1711 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	8353.3 ± 0.5 Å³
Cell temperature	100.01 ± 0.11 K
Ambient diffraction temperature	100.01 ± 0.11 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298082 (current)	2025-03-04	cif/ Updating files of 1573283, 1573284, 1573285 Original log message: Adding full bibliography for 1573283--1573285.cif.	1573284.cif
296118	2024-11-27	cif/ Adding structures of 1573283, 1573284, 1573285 via cif-deposit CGI script.	1573284.cif