Crystallography Open Database

Information card for entry 4033439

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Structure parameters

Formula	C15 H9 Cl O
Calculated formula	C15 H9 Cl O
SMILES	C1(=O)C=C(c2ccccc12)c1ccc(cc1)Cl
Title of publication	Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.
Authors of publication	Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	4
Pages of publication	2256 - 2262
a	3.864 ± 0.0011 Å
b	10.515 ± 0.003 Å
c	13.701 ± 0.004 Å
α	90°
β	92.688 ± 0.004°
γ	90°
Cell volume	556.1 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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