Crystallography Open Database

Information card for entry 1545383

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Structure parameters

Chemical name	<i>N</i>-[(3a<i>R</i>,3b<i>S</i>)-1,3b,7,7-Tetramethyl-3,3b,4,5,6,7,7a,7b-octahydro-3a<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide
Formula	C17 H27 N O
Calculated formula	C17 H27 N O
SMILES	O=C(N[C@]12[C@H]([C@H]3[C@@]1(CCCC3(C)C)C)C(=CC2)C)C
Title of publication	<i>N</i>-[(3a<i>R</i>,3b<i>S</i>)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide
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	x170275
a	9.7147 ± 0.0003 Å
b	10.0052 ± 0.0003 Å
c	16.3078 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1585.08 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0412
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
192768 (current)	2017-03-02	cif/ hkl/ Adding structures of 1545383 via cif-deposit CGI script.	1545383.cif 1545383.hkl