Crystallography Open Database

Information card for entry 2229215

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Structure parameters

Chemical name	<i>rac</i>-Diethyl 9-hydroxy-9-methyl-7-phenyl-1,4-diazaspiro[4.5]decane-6,8-dicarboxylate
Formula	C21 H30 N2 O5
Calculated formula	C21 H30 N2 O5
SMILES	CCOC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)OCC)C2(C[C@]1(C)O)NCCN2.CCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCC)C2(C[C@@]1(C)O)NCCN2
Title of publication	<i>rac</i>-Diethyl 9-hydroxy-9-methyl-7-phenyl-1,4-diazaspiro[4.5]decane-6,8-dicarboxylate
Authors of publication	Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.; Rahimova, Gunel M.; Allahverdiyev, Mirza A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	2
Pages of publication	o291
a	9.414 ± 0.0017 Å
b	10.7606 ± 0.0019 Å
c	10.7874 ± 0.0019 Å
α	103 ± 0.004°
β	97.413 ± 0.004°
γ	97.736 ± 0.004°
Cell volume	1040.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1328
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181213 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/92.	2229215.cif 2229215.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2229215.cif 2229215.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2229215.cif 2229215.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2229215.cif 2229215.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2229215.cif 2229215.hkl
14261	2011-03-09	Adding the Fobs data for the recenty deposited IUCr structrures.	2229215.cif 2229215.hkl
12303	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 2229215 via cif-deposit CGI script.	2229215.cif