Crystallography Open Database

Information card for entry 7244772

Preview

Coordinates	7244772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 F3 N O6
Calculated formula	C34 H28 F3 N O6
Title of publication	Crystalline-state chemiluminescence reactions of two-fluorophore-linked adamantylideneadamantane 1,2-dioxetane isomers accompanied by solid-to-solid phase transitions
Authors of publication	Matsuhashi, Chihiro; Oyama, Hironaga; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro A.; Hirano, Takashi
Journal of publication	CrystEngComm
Year of publication	2022
a	7.493 ± 0.0004 Å
b	13.8284 ± 0.001 Å
c	15.4815 ± 0.0013 Å
α	108.781 ± 0.007°
β	101.858 ± 0.006°
γ	105.672 ± 0.006°
Cell volume	1385 ± 0.2 Å³
Cell temperature	99.9 ± 0.3 K
Ambient diffraction temperature	99.9 ± 0.3 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.1732
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
274501 (current)	2022-04-13	cif/ Adding structures of 7244772, 7244773 via cif-deposit CGI script.	7244772.cif