Crystallography Open Database

Information card for entry 7235349

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Structure parameters

Chemical name	2-(1-(4-(9H-carbazol-9-yl)phenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol
Formula	C23 H20 N4 O
Calculated formula	C23 H20 N4 O
Title of publication	Switchable fluorescence by click reaction of a novel azidocarbazole dye
Authors of publication	Hörner, Anna; Volz, Daniel; Hagendorn, Tobias; Fürniss, Daniel; Greb, Lutz; Rönicke, Franziska; Nieger, Martin; Schepers, Ute; Bräse, Stefan
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	23
Pages of publication	11528
a	16.967 ± 0.001 Å
b	9.805 ± 0.001 Å
c	22.225 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3697.4 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7235349.cif
232712	2019-11-23	cif/ Adding structures of 7235348, 7235349 via cif-deposit CGI script.	7235349.cif