Crystallography Open Database

Information card for entry 2238159

Preview

Coordinates	2238159.cif
Structure factors	2238159.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(3<i>R</i>,6<i>R</i>,4'<i>S</i>,8'<i>R</i>,3''<i>R</i>,6''<i>R</i>)-3,3''-Diisopropyl-6,6''-dimethyl-2',6'-diphenyldispiro[cyclohexane-1,4'-(3,7-dioxa-2,6-diazabicyclo[3.3.0]octane)-8',1''-cyclohexane]-2,2''-dione
Formula	C34 H44 N2 O4
Calculated formula	C34 H44 N2 O4
SMILES	CC([C@H]1CC[C@H]([C@@]2(C1=O)ON([C@@H]1[C@H]2N(O[C@@]21[C@H](C)CC[C@@H](C2=O)C(C)C)c1ccccc1)c1ccccc1)C)C
Title of publication	(3<i>R</i>,6<i>R</i>,4'<i>S</i>,8'<i>R</i>,3''<i>R</i>,6''<i>R</i>)-3,3''-Diisopropyl-6,6''-dimethyl-2',6'-diphenyldispiro[cyclohexane-1,4'-(3,7-dioxa-2,6-diazabicyclo[3.3.0]octane)-8',1''-cyclohexane]-2,2''-dione
Authors of publication	Ansari, Abdeslam; Majidi, Lhou; Fihi, Rachid; Daran, Jean-Claude; Azrour, Mohamed
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	7
Pages of publication	o1162 - o1163
a	9.5037 ± 0.0006 Å
b	12.4162 ± 0.001 Å
c	24.8982 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2938 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0862
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	0.865
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
181303 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/81.	2238159.cif 2238159.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238159.cif 2238159.hkl
88055	2013-08-28	cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently.	2238159.cif 2238159.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2238159.cif 2238159.hkl
87406	2013-08-27	cif/ Adding structures of 2238159 via cif-deposit CGI script.	2238159.cif