Crystallography Open Database

Information card for entry 1541928

1541927 << 1541928 >> 1541929

Preview

Coordinates	1541928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H44 O5 S
Calculated formula	C34 H44 O5 S
SMILES	[C@H]1(CCC(c2cc(c(cc2[C@H]1c1ccc(cc1)OC)OCCCC)OCCCC)(C)C)S(=O)(=O)c1ccccc1.[C@@H]1(CCC(c2cc(c(cc2[C@@H]1c1ccc(cc1)OC)OCCCC)OCCCC)(C)C)S(=O)(=O)c1ccccc1
Title of publication	Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Authors of publication	Chang, Meng-Yang; Cheng, Yu-Chieh
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	3
Pages of publication	608 - 611
a	10.3966 ± 0.0008 Å
b	11.0245 ± 0.001 Å
c	26.053 ± 0.002 Å
α	90°
β	91.85 ± 0.004°
γ	90°
Cell volume	2984.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
177442 (current)	2016-03-04	cif/ Updating files of 1541918, 1541919, 1541920, 1541921, 1541922, 1541923, 1541924, 1541925, 1541926, 1541927, 1541928, 1541929 Original log message: Adding full bibliography for 1541918--1541929.cif.	1541928.cif
173704	2016-01-09	cif/ Adding structures of 1541928 via cif-deposit CGI script.	1541928.cif