Crystallography Open Database

Information card for entry 1512037

1512036 << 1512037 >> 1512038

Preview

Coordinates	1512037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 O2
Calculated formula	C36 H42 O2
SMILES	CCCCCCCCc1cc2cccc3c2c2c1oc1cccc4c1c2c(o3)c(c4)CCCCCCCC
Title of publication	Synthesis, Properties, and Structures of Functionalizedperi-Xanthenoxanthene
Authors of publication	Lv, Na; Xie, Meilan; Gu, Weibing; Ruan, Huanyang; Qiu, Song; Zhou, Chunshan; Cui, Zheng
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	2382
a	36.68 ± 0.012 Å
b	4.7179 ± 0.0016 Å
c	16.708 ± 0.006 Å
α	90°
β	105.089 ± 0.006°
γ	90°
Cell volume	2791.7 ± 1.7 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512037.cif
87183	2013-07-14	cif/ Adding structures of 1512035, 1512036, 1512037 via cif-deposit CGI script.	1512037.cif