Crystallography Open Database

Information card for entry 7126845

Preview

Coordinates	7126845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 N O3
Calculated formula	C14 H10 N O3
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	11.0304 ± 0.0007 Å
b	11.821 ± 0.0005 Å
c	9.3939 ± 0.0005 Å
α	90°
β	115.468 ± 0.002°
γ	90°
Cell volume	1105.85 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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/7126845.html