Crystallography Open Database

Information card for entry 7150722

Preview

Coordinates	7150722.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 4d
Formula	C25 H28 N2 O6
Calculated formula	C25 H28 N2 O6
SMILES	O=C1OC(C)(C)[C@@H](N1C(=O)[C@@H](C)[C@H](O)[C@H]1C[C@@H]1c1ccccc1N(=O)=O)Cc1ccccc1
Title of publication	A temporary stereocentre approach for the asymmetric synthesis of chiral cyclopropane-carboxaldehydes
Authors of publication	Cheeseman, Matt; Davies, Iwan R.; Axe, Phil; Johnson, Andrew L.; Bull, Steven D.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	17
Pages of publication	3537 - 3548
a	7.67 ± 0.0001 Å
b	14.837 ± 0.0003 Å
c	20.519 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2335.06 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
180293 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/07.	7150722.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150722.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150722.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150722.cif