Crystallography Open Database

Information card for entry 1520451

1520450 << 1520451 >> 1520452

Preview

Coordinates	1520451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 N2
Calculated formula	C40 H32 N2
SMILES	N(c1c2c(c(N(c3ccccc3)CC)c3c2cc2ccccc2c3)c2c1cc1c(c2)cccc1)(c1ccccc1)CC
Title of publication	One-Shot Double Amination of Sondheimer-Wong Diynes: Synthesis of Photoluminescent Dinaphthopentalenes.
Authors of publication	Xu, Feng; Peng, Lifen; Shinohara, Kenta; Nishida, Takanori; Wakamatsu, Kan; Uejima, Motoyuki; Sato, Tohru; Tanaka, Kazuyoshi; Machida, Norihiko; Akashi, Haruo; Orita, Akihiro; Otera, Junzo
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	12
Pages of publication	3014 - 3017
a	12.149 ± 0.004 Å
b	7.34 ± 0.003 Å
c	16.53 ± 0.006 Å
α	90°
β	101.456 ± 0.004°
γ	90°
Cell volume	1444.7 ± 0.9 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.0458
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140274 (current)	2015-07-05	cif/ Updating files of 1520451 Original log message: Adding full bibliography for 1520451.cif.	1520451.cif
138955	2015-06-09	cif/ Adding structures of 1520451 via cif-deposit CGI script.	1520451.cif