Crystallography Open Database

Information card for entry 1507465

Preview

Coordinates	1507465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H38
Calculated formula	C30 H38
Title of publication	Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene
Authors of publication	Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo
Journal of publication	Organic Letters
Year of publication	2002
Journal volume	4
Journal issue	13
Pages of publication	2261
a	11.355 ± 0.003 Å
b	11.344 ± 0.002 Å
c	18.115 ± 0.005 Å
α	89.578 ± 0.009°
β	78.647 ± 0.005°
γ	82.3 ± 0.01°
Cell volume	2266.7 ± 1 Å³
Cell temperature	123.1 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.316
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1507465.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507465.cif
53986	2012-04-20	cif/ Adding structures of 1507465 via cif-deposit CGI script.	1507465.cif