Crystallography Open Database

Information card for entry 2100870

Preview

Coordinates	2100870.cif
Original IUCr paper	HTML

Structure parameters

Formula	C13 H15 Cl2 N O3
Calculated formula	C13 H15 Cl2 N O3
SMILES	Cl[C@@]1([C@@H]2[C@H]3[C@@H]4[C@H]([C@@H]13)[C@@H](Cl)[C@H]2OC4=O)C(=O)NC(C)C.Cl[C@]1([C@H]2[C@@H]3[C@H]4[C@@H]([C@H]13)[C@H](Cl)[C@@H]2OC4=O)C(=O)NC(C)C
Title of publication	Structures of secocubane and nortwistbrendane derivatives
Authors of publication	Ammon, H. L.; Bashir-Hashemi, A.
Journal of publication	Acta Crystallographica Section B
Year of publication	1992
Journal volume	48
Journal issue	6
Pages of publication	832 - 837
a	9.902 ± 0.002 Å
b	9.381 ± 0.002 Å
c	15.174 ± 0.002 Å
α	90°
β	103.25 ± 0.01°
γ	90°
Cell volume	1372 ± 0.4 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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