Crystallography Open Database

Information card for entry 7222292

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Structure parameters

Formula	C39 H32 N4 O4
Calculated formula	C39 H32 N4 O4
SMILES	c1ccccc1CN1C(=O)[C@]2(c3cc(C)ccc13)C(C#N)(C#N)[C@@H](/C=C/c1ccccc1)N(C=C2C(=O)OC)c1ccc(cc1)OC.c1ccccc1CN1C(=O)[C@@]2(c3cc(C)ccc13)C(C#N)(C#N)[C@H](/C=C/c1ccccc1)N(C=C2C(=O)OC)c1ccc(cc1)OC
Title of publication	Efficient synthesis of functionalized spiro[indoline-3,4'-pyridines] and spiro[indene-2,4'-pyridines] via three-component reaction
Authors of publication	Zhang, Jing; Sun, Jing; Yan, Chao Guo
Journal of publication	RSC Adv.
Year of publication	2015
a	10.7565 ± 0.0016 Å
b	12.24 ± 0.002 Å
c	14.678 ± 0.002 Å
α	82.406 ± 0.005°
β	69.137 ± 0.005°
γ	64.352 ± 0.005°
Cell volume	1627.3 ± 0.4 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	0.1203
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7222292.cif
158300	2015-09-25	cif/ Adding structures of 7222290, 7222291, 7222292, 7222293 via cif-deposit CGI script.	7222292.cif