Crystallography Open Database

Information card for entry 1570195

Preview

Coordinates	1570195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 B2 N2
Calculated formula	C36 H34 B2 N2
SMILES	N1B(c2c(cc(cc2C)C)C)C=Cc2c1c1c3c4NB(c5c(cc(cc5C)C)C)C=Cc4ccc3ccc1cc2
Title of publication	Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.
Authors of publication	Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	2
Pages of publication	466 - 476
a	17.5703 ± 0.0006 Å
b	8.2181 ± 0.0003 Å
c	20.6544 ± 0.0008 Å
α	90°
β	107.203 ± 0.001°
γ	90°
Cell volume	2848.96 ± 0.18 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
289424 (current)	2024-02-04	cif/ Updating files of 1570192, 1570193, 1570194, 1570195, 1570196, 1570197 Original log message: Adding full bibliography for 1570192--1570197.cif.	1570195.cif
287113	2023-10-26	cif/ Adding structures of 1570192, 1570193, 1570194, 1570195, 1570196, 1570197 via cif-deposit CGI script.	1570195.cif