Crystallography Open Database

Information card for entry 7118494

Preview

Coordinates	7118494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84.86 H11.14 F8.57 O3.43
Calculated formula	C84.8571 H11.1429 F8.57143 O3.42857
Title of publication	The synthesis and characterization of the meso-meso linked antiaromatic tetraoxa isophlorin dimer.
Authors of publication	Reddy, Baddigam Kiran; Gadekar, Santosh C.; Anand, Venkataramanarao G.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	14
Pages of publication	3007 - 3009
a	57.756 ± 0.006 Å
b	57.756 ± 0.006 Å
c	57.756 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	192660 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	203
Hermann-Mauguin space group symbol	F d -3
Hall space group symbol	-F 2uv 2vw 3
Residual factor for all reflections	0.194
Residual factor for significantly intense reflections	0.1296
Weighted residual factors for significantly intense reflections	0.3647
Weighted residual factors for all reflections included in the refinement	0.4364
Goodness-of-fit parameter for all reflections included in the refinement	1.557
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
177693 (current)	2016-03-05	cif/ Updating files of 7118492, 7118493, 7118494 Original log message: Adding full bibliography for 7118492--7118494.cif.	7118494.cif
174592	2016-01-20	cif/ Adding structures of 7118492, 7118493, 7118494 via cif-deposit CGI script.	7118494.cif