Crystallography Open Database

Information card for entry 4114991

Preview

Coordinates	4114991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 O2
Calculated formula	C27 H30 O2
Title of publication	Substituent Effects on the Stereochemistry in the [2 + 2] Photocycloaddition Reaction of Homobenzoquinone Derivative with Variously Substituted Alkenes and Alkynes
Authors of publication	Ken Kokubo; Hiroshi Yamaguchi; Tatsuya Kawamoto; Takumi Oshima
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	8912 - 8921
a	10.8087 ± 0.0005 Å
b	27.45 ± 0.002 Å
c	14.9497 ± 0.0009 Å
α	90°
β	99.183 ± 0.002°
γ	90°
Cell volume	4378.7 ± 0.5 Å³
Cell temperature	296.2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	0.744
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
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.	4114991.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114991.cif
68375	2012-10-25	cif/ Adding structures of 4114991 via cif-deposit CGI script.	4114991.cif