Crystallography Open Database

Information card for entry 7131542

Preview

Coordinates	7131542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H22 Br N O6
Calculated formula	C31 H21.49 Br N O4.5
Title of publication	Syntheses of heterotriptycenes and their Pt complexes that emit circularly polarised fluorescence and phosphorescence.
Authors of publication	Inoue, Ryo; Furumoto, Kyosuke; Morisaki, Yasuhiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	37
Pages of publication	5571 - 5574
a	12.3684 ± 0.0014 Å
b	14.0492 ± 0.0013 Å
c	60.098 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	10443 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.219
Residual factor for significantly intense reflections	0.1719
Weighted residual factors for significantly intense reflections	0.3799
Weighted residual factors for all reflections included in the refinement	0.4118
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
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
284177 (current)	2023-06-05	cif/ Updating files of 7131542, 7131543 Original log message: Adding full bibliography for 7131542--7131543.cif.	7131542.cif
282594	2023-04-12	cif/ Adding structures of 7131542, 7131543 via cif-deposit CGI script.	7131542.cif