Crystallography Open Database

Information card for entry 7222281

Preview

Coordinates	7222281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H21 N2 O6
Calculated formula	C31 H21 N2 O6
Title of publication	Synthesis of 3-[(coumarinyl)carbonyl]-3a,8b-dihyroindeno[1,2-b]pyrrole-4(1H)-ones and their conversion to coumarin bearing spiro[isobenzofuran-1,2′-pyrrole] moiety compounds via oxidative cleavage reaction
Authors of publication	Alizadeh, Abdolali; Ghanbaripour, Rashid; Feizabadi, Masoumeh; Zhu, Long-Guan; Dusek, Michal
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	98
Pages of publication	80518
a	25.265 ± 0.0013 Å
b	14.1121 ± 0.001 Å
c	14.5519 ± 0.0009 Å
α	90°
β	92.961 ± 0.005°
γ	90°
Cell volume	5181.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1408
Residual factor for significantly intense reflections	0.1076
Weighted residual factors for significantly intense reflections	0.2509
Weighted residual factors for all reflections included in the refinement	0.2682
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
158251 (current)	2015-09-23	cif/ Adding structures of 7222281, 7222282 via cif-deposit CGI script.	7222281.cif