Crystallography Open Database

Information card for entry 1503160

Preview

Coordinates	1503160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N2 O4
Calculated formula	C26 H22 N2 O4
SMILES	c1(ccccc1)C(=O)C(C(=O)c1ccccc1)C1(C(=O)N(C(=O)N1C)C)c1ccccc1
Title of publication	An efficient synthesis of hydantoins via sustainable integration of coupled domino processes.
Authors of publication	Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Shu, Wen-Ming; Zhang, Dong-Xue; Cao, Li-Ping; She, Neng-Fang; Wu, An-Xin
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	18
Pages of publication	4026 - 4029
a	10.513 ± 0.001 Å
b	21.209 ± 0.002 Å
c	19.5593 ± 0.0019 Å
α	90°
β	90.309 ± 0.002°
γ	90°
Cell volume	4361.1 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0885
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1637
Weighted residual factors for all reflections included in the refinement	0.1724
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503160.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503160.cif
86279	2013-05-21	smi/1 Adding SMILES of compounds in non chiral groups removing the chirality marks.	1503160.cif
37051	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503160, 1503161 via cif-deposit CGI script.	1503160.cif