Crystallography Open Database

Information card for entry 1545622

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Structure parameters

Chemical name	(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene
Formula	C17 H24 Cl2
Calculated formula	C17 H24 Cl2
SMILES	ClC1(Cl)[C@@]23[C@@H](C(CCC[C@@]12C)(C)C)C=C(C(=C)C3)C
Title of publication	(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene
Authors of publication	Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	3
Pages of publication	x170421
a	6.5995 ± 0.0003 Å
b	13.4865 ± 0.0004 Å
c	18.2435 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1623.75 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
194416 (current)	2017-03-22	cif/ hkl/ Adding structures of 1545622 via cif-deposit CGI script.	1545622.cif 1545622.hkl