Crystallography Open Database

Information card for entry 4029484

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Structure parameters

Formula	C16 H24 Ag F6 P
Calculated formula	C16 H24 Ag F6 P
SMILES	C1[CH]2=[CH]3CC[CH]4[Ag]56723([CH]2CC[CH]5=[CH]7CC[CH]6=2)[CH]=4C1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Silver(I)-catalyzed dual activation of propargylic alcohol and aziridine/azetidine: triggering ring-opening and endo-selective ring-closing in a cascade.
Authors of publication	Bera, Milan; Roy, Sujit
Journal of publication	The Journal of organic chemistry
Year of publication	2009
Journal volume	74
Journal issue	22
Pages of publication	8814 - 8817
a	10.839 ± 0.002 Å
b	15.667 ± 0.003 Å
c	21.444 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3641.5 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
301812 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure.	4029484.cif
264242	2021-04-16	cif/4 Fixing some Z values and formulae	4029484.cif
178473	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/94.	4029484.cif
114789	2014-05-29	cif/ Adding structures of 4029484 via cif-deposit CGI script.	4029484.cif