Crystallography Open Database

Information card for entry 1545138

Preview

Coordinates	1545138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H39 F15 N4
Calculated formula	C59 H42 F15 N4
Title of publication	Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.
Authors of publication	Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	3
Pages of publication	650 - 653
a	13.8688 ± 0.0012 Å
b	15.3205 ± 0.0013 Å
c	15.3261 ± 0.0015 Å
α	119.469 ± 0.003°
β	93.117 ± 0.001°
γ	105.428 ± 0.002°
Cell volume	2665.6 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1453
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.2294
Weighted residual factors for all reflections included in the refinement	0.2746
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
191389 (current)	2017-02-04	cif/ Updating files of 1545137, 1545138, 1545139 Original log message: Adding full bibliography for 1545137--1545139.cif.	1545138.cif
190854	2017-01-24	cif/ Adding structures of 1545138 via cif-deposit CGI script.	1545138.cif