Crystallography Open Database

Information card for entry 1520655

1520654 << 1520655 >> 1520656

Preview

Coordinates	1520655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 O5 Si2
Calculated formula	C32 H38 O5 Si2
SMILES	[Si](OC1=C([C@H](Oc2c1cccc2)CC(=O)c1ccccc1)[C@@H](O[Si](C)(C)C)CC(=O)c1ccccc1)(C)(C)C.[Si](OC1=C([C@@H](Oc2c1cccc2)CC(=O)c1ccccc1)[C@H](O[Si](C)(C)C)CC(=O)c1ccccc1)(C)(C)C
Title of publication	The Synthesis of a New Class of Highly Fluorescent Chromones via an Inverse-Demand Hetero-Diels-Alder Reaction.
Authors of publication	Zimmerman, Jake R.; Johntony, Olivia; Steigerwald, Daniel; Criss, Cody; Myers, Brian J.; Kinder, David H.
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	13
Pages of publication	3256 - 3259
a	9.2692 ± 0.0007 Å
b	9.7098 ± 0.0007 Å
c	34.752 ± 0.003 Å
α	90°
β	92.266 ± 0.001°
γ	90°
Cell volume	3125.3 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
154764 (current)	2015-09-06	cif/ Updating files of 1520655, 1520656 Original log message: Adding full bibliography for 1520655--1520656.cif.	1520655.cif
139601	2015-06-25	cif/ Adding structures of 1520655, 1520656 via cif-deposit CGI script.	1520655.cif