Crystallography Open Database

Information card for entry 4035141

Preview

Coordinates	4035141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 O6
Calculated formula	C24 H30 O6
SMILES	O(C(=O)C1([C@@H]([C@H]1c1ccccc1)CC1=C(O)CC(CC1=O)(C)C)C(=O)OCC)CC
Title of publication	Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.
Authors of publication	Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	17
Pages of publication	9795 - 9817
a	10.4407 ± 0.0005 Å
b	13.4314 ± 0.0004 Å
c	16.6407 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2333.58 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
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	0.0594
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
226626 (current)	2019-11-11	cif/ Adding structures of 4035141 via cif-deposit CGI script.	4035141.cif