Crystallography Open Database

Information card for entry 1547728

Preview

Coordinates	1547728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 N3 O3
Calculated formula	C28 H21 N3 O3
SMILES	O=C1N(C(=O)CC21N(c1c3ncccc3ccc1)C(=O)c1c2cc(cc1)C)Cc1ccccc1
Title of publication	Cobalt-Catalyzed Oxidative Cyclization of Benzamides with Maleimides: Synthesis of Isoindolone Spirosuccinimides.
Authors of publication	Manoharan, Ramasamy; Jeganmohan, Masilamani
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	21
Pages of publication	5884 - 5887
a	8.3542 ± 0.0012 Å
b	11.7504 ± 0.0015 Å
c	11.9494 ± 0.0015 Å
α	102.671 ± 0.004°
β	106.404 ± 0.004°
γ	97.121 ± 0.004°
Cell volume	1076 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	0.878
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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