Crystallography Open Database

Information card for entry 7238245

Preview

Coordinates	7238245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 O4
Calculated formula	C19 H16 O4
Title of publication	Molecular recognition of bisphenol A and its derivatives using p-benzoquinone
Authors of publication	Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	3195
a	22.4272 ± 0.0017 Å
b	6.1401 ± 0.0005 Å
c	11.1047 ± 0.0009 Å
α	90°
β	103.384 ± 0.001°
γ	90°
Cell volume	1487.6 ± 0.2 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 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	0.0563
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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