Crystallography Open Database

Information card for entry 1545379

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Structure parameters

Chemical name	(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one
Formula	C16 H23 Cl2 N O
Calculated formula	C16 H23 Cl2 N O
SMILES	[C@@]123C([C@@]1(CCCC([C@H]2C(=O)C(=C(C3)N)C)(C)C)C)(Cl)Cl
Title of publication	(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one
Authors of publication	Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	2
Pages of publication	x170255
a	6.9962 ± 0.0013 Å
b	18.654 ± 0.004 Å
c	12.426 ± 0.003 Å
α	90°
β	91.273 ± 0.005°
γ	90°
Cell volume	1621.3 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
192764 (current)	2017-03-02	cif/ hkl/ Adding structures of 1545379 via cif-deposit CGI script.	1545379.cif 1545379.hkl