Crystallography Open Database

Information card for entry 1503161

Preview

Coordinates	1503161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N2 O4.5
Calculated formula	C27 H23 N2 O4.5
SMILES	O.O=C1N(C(=C(C(=O)c2ccccc2)C(=O)c2ccccc2)C(=O)c2ccccc2)CCCN1
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	11.301 ± 0.0018 Å
b	17.774 ± 0.003 Å
c	22.517 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4522.9 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1653
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1503161.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503161.cif
37051	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503160, 1503161 via cif-deposit CGI script.	1503161.cif