Crystallography Open Database

Information card for entry 7064318

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Coordinates	7064318.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(6-iodo-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl)-N'-((4-(trifluoromethyl)phenyl)sulfonyl)acetimidamide
Formula	C24 H32 F3 I N2 O2 S
Calculated formula	C24 H32 F3 I N2 O2 S
Title of publication	Skeletal rearrangements and structures of halosulfonamidation products of caryophyllene
Authors of publication	Moskalik, Mikhail Yu.; Garagan, Ivan A.; Myasnikova, Valentina S.; Borodina, Tatyana N.; Shainyan, Bagrat A.
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	4
Pages of publication	1935 - 1942
a	10.5276 ± 0.0011 Å
b	11.5823 ± 0.0012 Å
c	10.782 ± 0.0012 Å
α	90°
β	95.162 ± 0.003°
γ	90°
Cell volume	1309.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
304785 (current)	2026-03-04	cif/ Adding structures of 7064318, 7064319, 7064320, 7064321, 7064322 via cif-deposit CGI script.	7064318.cif