Crystallography Open Database

Information card for entry 7155865

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Structure parameters

Formula	C31 H25 N O3
Calculated formula	C31 H25 N O3
SMILES	n12c(C#Cc3cc(OC)c(OC)c(OC)c3)ccc1c(cc(c2)c1ccccc1)c1ccccc1
Title of publication	Synthesis of Functionalized Indolizines via Gold(I)-Catalyzed Intramolecular Hydroarylation/aromatization of Pyrrole-Ynes
Authors of publication	Li, Xiangdong; Zhao, JiDong; Xie, Xin; Liu, Yuanhong
Journal of publication	Org. Biomol. Chem.
Year of publication	2017
a	17.427 ± 0.003 Å
b	7.3463 ± 0.0011 Å
c	18.485 ± 0.003 Å
α	90°
β	95.213 ± 0.004°
γ	90°
Cell volume	2356.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1552
Residual factor for significantly intense reflections	0.1221
Weighted residual factors for significantly intense reflections	0.2902
Weighted residual factors for all reflections included in the refinement	0.3208
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7155865.cif
200198	2017-09-06	cif/ Adding structures of 7155865 via cif-deposit CGI script.	7155865.cif