Crystallography Open Database

Information card for entry 1555398

Preview

Coordinates	1555398.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MW5-023
Chemical name	sarpong110
Formula	C19 H26 O2
Calculated formula	C19 H26 O2
SMILES	[C@]12(CC[C@H]([C@](CO2)(C1=O)C)Cc1ccccc1C(C)C)C
Title of publication	Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.
Authors of publication	Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	21
Pages of publication	5432 - 5435
a	7.2207 ± 0.0006 Å
b	10.6225 ± 0.0008 Å
c	10.6751 ± 0.0008 Å
α	90°
β	101.193 ± 0.004°
γ	90°
Cell volume	803.23 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238609 (current)	2019-11-24	cif/ Adding structures of 1555398 via cif-deposit CGI script.	1555398.cif