Crystallography Open Database

Information card for entry 1546729

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Structure parameters

Chemical name	(1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide
Formula	C17 H29 N O3
Calculated formula	C17 H29 N O3
SMILES	[C@@]123[C@@](CCCC([C@@H]1[C@@H]([C@@](CC2)(C)O3)NC(=O)C)(C)C)(C)O
Title of publication	(1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide
Authors of publication	Benharref, Amed; Ait Elhad, Mustapha; Mazoir, Noureddine; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	7
Pages of publication	x170970
a	14.5077 ± 0.001 Å
b	7.9149 ± 0.0004 Å
c	14.8297 ± 0.0008 Å
α	90°
β	106.803 ± 0.007°
γ	90°
Cell volume	1630.15 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
199325 (current)	2017-07-25	cif/ hkl/ Adding structures of 1546729 via cif-deposit CGI script.	1546729.cif 1546729.hkl