Crystallography Open Database

Information card for entry 7126841

Preview

Structure parameters

Formula	C28 H16 N2 O4
Calculated formula	C28 H16 N2 O4
Title of publication	Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.
Authors of publication	Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	67
Pages of publication	9687 - 9690
a	15.9394 ± 0.0007 Å
b	15.9394 ± 0.0007 Å
c	15.9489 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4052 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7126841.html