Crystallography Open Database

Information card for entry 7226077

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Structure parameters

Formula	C29 H35 N O7
Calculated formula	C29 H35 N O7
Title of publication	Novel Multi-Component Approach to the Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives
Authors of publication	Voskressensky, Leonid; Borisova, Tatiana N.; Matveeva, Maria; Khrustalev, Victor N.; Aksenov, Alexander V.; Titov, Alexander A.; Vartanova, Anna; Varlamov, Alexey V.
Journal of publication	RSC Adv.
Year of publication	2016
a	18.455 ± 0.002 Å
b	7.7589 ± 0.001 Å
c	18.858 ± 0.003 Å
α	90°
β	100.279 ± 0.003°
γ	90°
Cell volume	2656.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1214
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2195
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7226077.cif
184719	2016-07-29	cif/ Adding structures of 7226077 via cif-deposit CGI script.	7226077.cif