Crystallography Open Database

Information card for entry 1100183

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Coordinates	1100183.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Menthan-7-yl 2,4,7-trimethyl-2,4-trimethylene-5-pentane lactam-7-carboxylate d ichloromethane solvate
Formula	C23 H39 Cl2 N O3
Calculated formula	C23 H39 Cl2 N O3
SMILES	ClCCl.O=C1NC[C@]2(C[C@@]1(C[C@@](C2)(C)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C)C
Authors of publication	T.Bach; H.Bergmann; K.Harms
Journal of publication	Angew.Chem.,Int.Ed.Engl.
Year of publication	2000
Journal volume	39
Pages of publication	2302
a	8.52 ± 0.001 Å
b	12.123 ± 0.001 Å
c	24.105 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2489.76 Å³
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	6.08
Weighted residual factors for significantly intense reflections	6.08
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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