Crystallography Open Database

Information card for entry 4025717

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Structure parameters

Formula	C32 H28 N2 O9
Calculated formula	C32 H28 N2 O9
SMILES	o1c(c2ccccc2)c(N(c2ccccc2)C(=C(/C(=O)OC)CC(=O)OC)/c2ncccc2)c(c1C(=O)OC)C(=O)OC
Title of publication	Multicomponent Reaction of Imidazo[1,5-a]pyridine Carbenes with Aldehydes and Dimethyl Acetylenedicarboxylate or Allenoates: A Straightforward Approach to Fully Substituted Furans
Authors of publication	Huan-Rui Pan; Yong-Jia Li; Cai-Xia Yan; Juan Xing; Ying Cheng
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	6644 - 6652
a	8.5058 ± 0.0017 Å
b	13.765 ± 0.003 Å
c	25.132 ± 0.005 Å
α	90°
β	98.56 ± 0.03°
γ	90°
Cell volume	2909.7 ± 1.1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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