Crystallography Open Database

Information card for entry 1512100

1512099 << 1512100 >> 1512101

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Coordinates	1512100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 N2 O4
Calculated formula	C27 H24 N2 O4
SMILES	o1c2cc(N(C)C)ccc2c(NC(C(=O)C)c2ccccc2)c(c1=O)C(=O)c1ccccc1
Title of publication	Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.
Authors of publication	Lin, Chi-Hui; Yang, Ding-Yah
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	11
Pages of publication	2802 - 2805
a	20.3706 ± 0.0013 Å
b	12.1324 ± 0.0008 Å
c	19.1982 ± 0.0013 Å
α	90°
β	109.562 ± 0.001°
γ	90°
Cell volume	4470.9 ± 0.5 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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