Crystallography Open Database

Information card for entry 4026605

Preview

Coordinates	4026605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H10 O
Calculated formula	C42 H20 O2
Title of publication	Synthesis of Oxosumanenes through Benzylic Oxidation
Authors of publication	Toru Amaya; Maiko Hifumi; Michiaki Okada; Yasutomo Shimizu; Toshiyuki Moriuchi; Kouji Segawa; Yoichi Ando; Toshikazu Hirao
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	8049 - 8052
a	7.68545 ± 0.00015 Å
b	16.9437 ± 0.0003 Å
c	9.7925 ± 0.0002 Å
α	90°
β	103.049 ± 0.0012°
γ	90°
Cell volume	1242.25 ± 0.04 Å³
Cell temperature	277.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4026605.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026605.cif
39721	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4026605 via cif-deposit CGI script.	4026605.cif