Crystallography Open Database

Information card for entry 1507978

Preview

Coordinates	1507978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 Cl N4 O4
Calculated formula	C30 H35 Cl N4 O4
SMILES	Clc1cc(ccc1)[C@@H](N(NC(=O)c1ccccc1)Cc1ccccc1)C(=N#N)C(=O)OC(C(C)C)C(C)C.O
Title of publication	Generation and exploitation of acyclic azomethine imines in chiral Brønsted acid catalysis.
Authors of publication	Hashimoto, Takuya; Kimura, Hidenori; Kawamata, Yu; Maruoka, Keiji
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	8
Pages of publication	642 - 646
a	9.48719 ± 0.00017 Å
b	12.8846 ± 0.0003 Å
c	12.0111 ± 0.0003 Å
α	90°
β	96.4486 ± 0.001°
γ	90°
Cell volume	1458.93 ± 0.06 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	1507978.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507978.cif
62524	2012-07-09	cif/ Adding structures of 1507978 via cif-deposit CGI script.	1507978.cif