Crystallography Open Database

Information card for entry 2227997

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Structure parameters

Chemical name	7-[(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylidene)amino]-4-methyl-2<i>H</i>- chromen-2-one
Formula	C25 H29 N O3
Calculated formula	C25 H29 N O3
SMILES	O=c1cc(C)c2c(o1)cc(cc2)/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Title of publication	7-[(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylidene)amino]-4-methyl-2<i>H</i>-chromen-2-one
Authors of publication	Aazam, Elham S.; Büyükgüngör, Orhan
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	10
Pages of publication	o2587 - o2588
a	17.6067 ± 0.0014 Å
b	9.6853 ± 0.0005 Å
c	27.237 ± 0.003 Å
α	90°
β	109.832 ± 0.006°
γ	90°
Cell volume	4369.2 ± 0.7 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1697
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	0.836
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
181200 (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 2/22/79.	2227997.cif 2227997.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.	2227997.cif 2227997.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227997.cif 2227997.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.	2227997.cif 2227997.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227997.cif 2227997.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2227997.cif 2227997.hkl
5034	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2227997 via cif-deposit CGI script.	2227997.cif