Crystallography Open Database

Information card for entry 1548533

Preview

Coordinates	1548533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H41 O2 W0.5
Calculated formula	C27 H41 O2 W0.5
SMILES	[W](=C)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C.CCCC
Title of publication	Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.
Authors of publication	Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	6
Pages of publication	1540 - 1543
a	15.0937 ± 0.0012 Å
b	17.6924 ± 0.0014 Å
c	9.6626 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2580.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0511
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228737 (current)	2019-11-17	cif/ Updating files of 1548532, 1548533, 1548534 Original log message: Adding full bibliography for 1548532--1548534.cif.	1548533.cif
204468	2017-12-22	cif/ Adding structures of 1548532, 1548533, 1548534 via cif-deposit CGI script.	1548533.cif