Crystallography Open Database

Information card for entry 4029645

Preview

Coordinates	4029645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 O4
Calculated formula	C25 H18 O4
Title of publication	Bridged tolanes: a twisted tale.
Authors of publication	Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	14
Pages of publication	6571 - 6578
a	7.693 ± 0.0003 Å
b	11.2962 ± 0.0005 Å
c	11.8573 ± 0.0005 Å
α	74.464 ± 0.001°
β	71.929 ± 0.001°
γ	83.348 ± 0.001°
Cell volume	943.2 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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