Crystallography Open Database

Information card for entry 1555621

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Structure parameters

Formula	C26 H23 N
Calculated formula	C26 H23 N
SMILES	[nH]1c2c3ccc(cc3c(cc2c2ccccc12)c1ccccc1)C(C)(C)C
Title of publication	Gold-Catalyzed Direct Assembly of Aryl-Annulated Carbazoles from 2-Alkynyl Arylazides and Alkynes.
Authors of publication	Li, Nan; Lian, Xiao-Lei; Li, Yu-Hui; Wang, Tian-Yi; Han, Zhi-Yong; Zhang, Liming; Gong, Liu-Zhu
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	17
Pages of publication	4178 - 4181
a	17.814 ± 0.0004 Å
b	9.6903 ± 0.0002 Å
c	23.0455 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3978.18 ± 0.15 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	3
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	0.0953
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.1929
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1555621.cif
238953	2019-11-24	cif/ Adding structures of 1555621 via cif-deposit CGI script.	1555621.cif