Crystallography Open Database

Information card for entry 1571758

Preview

Coordinates	1571758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H22 O
Calculated formula	C41 H22 O
Title of publication	Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.
Authors of publication	Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	25
Pages of publication	9842 - 9850
a	8.0168 ± 0.0004 Å
b	42.038 ± 0.002 Å
c	15.3836 ± 0.0007 Å
α	90°
β	97.965 ± 0.003°
γ	90°
Cell volume	5134.4 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
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	0.128
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
292901 (current)	2024-07-05	cif/ Updating files of 1571758, 1571759, 1571760 Original log message: Adding full bibliography for 1571758--1571760.cif.	1571758.cif
292138	2024-06-01	cif/ Adding structures of 1571758, 1571759, 1571760 via cif-deposit CGI script.	1571758.cif