Crystallography Open Database

Information card for entry 1555725

Preview

Coordinates	1555725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H16 F N O
Calculated formula	C27 H16 F N O
SMILES	c12cc(ccc1c1ccccc1/C2=C1/c2ccccc2N=C(c2ccccc2)O1)F
Title of publication	Palladium-Catalyzed Cascade Arene/Alkyne Annulation: Synthesis of Fluorene-Benzoxazine Derivatives.
Authors of publication	Cai, Zhong-Jian; Li, Fang-Hui; Wang, Shun-Yi; Ji, Shun-Jun
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	19
Pages of publication	4810 - 4813
a	7.3458 ± 0.0002 Å
b	11.9086 ± 0.0003 Å
c	21.862 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1912.45 ± 0.09 Å³
Cell temperature	295.6 ± 0.3 K
Ambient diffraction temperature	295.6 ± 0.3 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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