Crystallography Open Database

Information card for entry 7134557

Preview

Coordinates	7134557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 N O2
Calculated formula	C31 H29 N O2
Title of publication	A switchable red-emitting fluorophore involving a 7.6.6 defect
Authors of publication	Dutta, Arnab; Dzieszkowski, Krzysztof; Kijewska, Monika; Siczek, Miłosz; Orzeł, Łukasz; Pawlicki, Miłosz
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	52
Pages of publication	9424 - 9427
a	20.5218 ± 0.0015 Å
b	10.6991 ± 0.0007 Å
c	10.4618 ± 0.0008 Å
α	90°
β	90.148 ± 0.004°
γ	90°
Cell volume	2297 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2417
Residual factor for significantly intense reflections	0.1923
Weighted residual factors for significantly intense reflections	0.3271
Weighted residual factors for all reflections included in the refinement	0.3512
Goodness-of-fit parameter for all reflections included in the refinement	1.19
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
300458 (current)	2025-07-06	cif/ Updating files of 7134557, 7134558 Original log message: Adding full bibliography for 7134557--7134558.cif.	7134557.cif
299723	2025-05-19	cif/ Adding structures of 7134557, 7134558 via cif-deposit CGI script.	7134557.cif