Crystallography Open Database

Information card for entry 7118461

Preview

Coordinates	7118461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77.5 H46 O10.5
Calculated formula	C77.5 H46 O10.5
Title of publication	A fluorescent molecular capsule with a flexible polyaromatic shell for the detection of monoterpene compounds in water.
Authors of publication	Suzuki, Akira; Kondo, Kei; Sei, Yoshihisa; Akita, Munetaka; Yoshizawa, Michito
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	15
Pages of publication	3151 - 3154
a	17.323 ± 0.003 Å
b	22.428 ± 0.004 Å
c	15.591 ± 0.003 Å
α	90°
β	95.051 ± 0.003°
γ	90°
Cell volume	6033.9 ± 1.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1414
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.2217
Weighted residual factors for all reflections included in the refinement	0.2674
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
295947 (current)	2024-11-16	Replaced the '\/Y' character sequence with the backslash character ('\') in multiple data values.	7118461.cif
177663	2016-03-05	cif/ Updating files of 7118461 Original log message: Adding full bibliography for 7118461.cif.	7118461.cif
174473	2016-01-15	cif/ Adding structures of 7118461 via cif-deposit CGI script.	7118461.cif