Crystallography Open Database

Information card for entry 7120734

7120733 << 7120734 >> 7120735

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Structure parameters

Formula	C19 H16
Calculated formula	C19 H16
SMILES	c12ccccc1c(c(cc2)c1ccccc1)C1CC1
Title of publication	Gold(I)-Catalyzed Intramolecular Tandem Cyclization Reaction of Alkylidenecyclopropane-Containing Alkynes
Authors of publication	Fang, Wei; Wei, Yin; Shi, Min
Journal of publication	Chem. Commun.
Year of publication	2017
a	10.22 ± 0.007 Å
b	14.584 ± 0.01 Å
c	17.645 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	2630 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
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	0.107
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7120734.cif
201571	2017-10-03	cif/ Adding structures of 7120733, 7120734 via cif-deposit CGI script.	7120734.cif