Crystallography Open Database

Information card for entry 1571760

Preview

Coordinates	1571760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H24 O
Calculated formula	C45 H24 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	10.6528 ± 0.0007 Å
b	13.9671 ± 0.0009 Å
c	18.2044 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2708.6 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	1571760.cif
292138	2024-06-01	cif/ Adding structures of 1571758, 1571759, 1571760 via cif-deposit CGI script.	1571760.cif