Crystallography Open Database

Information card for entry 1549271

Preview

Coordinates	1549271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 N O3
Calculated formula	C32 H33 N O3
SMILES	C1(=O)N([C@H]([C@@H](c2ccccc2)O1)c1ccccc1)[C@@H]1C(=O)C(=C\C)\[C@]([C@]1(C)c1ccccc1)(CC)C
Title of publication	Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.
Authors of publication	Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	20
Pages of publication	4644 - 4649
a	10.2041 ± 0.0002 Å
b	12.0967 ± 0.0002 Å
c	10.8841 ± 0.0002 Å
α	90°
β	109.609 ± 0.002°
γ	90°
Cell volume	1265.57 ± 0.04 Å³
Cell temperature	130.01 ± 0.1 K
Ambient diffraction temperature	130.01 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228761 (current)	2019-11-17	cif/ Updating files of 1549270, 1549271 Original log message: Adding full bibliography for 1549270--1549271.cif.	1549271.cif
207417	2018-04-20	cif/ Adding structures of 1549270, 1549271 via cif-deposit CGI script.	1549271.cif