Crystallography Open Database

Information card for entry 7251922

7251921 << 7251922 >> 7251923

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Coordinates	7251922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 N2 O5
Calculated formula	C21 H22 N2 O5
Title of publication	A sustainable one-pot multi-component approach toward the synthesis of symmetric and unsymmetrical spiro heterocycles catalyzed by the Brønsted acidic ionic liquid [CMMIM][BF4]
Authors of publication	Begum, Rujuma; Maiti, Barnali
Journal of publication	RSC Advances
Year of publication	2026
Journal volume	16
Journal issue	24
Pages of publication	21953 - 21966
a	8.5244 ± 0.0004 Å
b	11.6767 ± 0.0005 Å
c	19.3306 ± 0.0008 Å
α	90°
β	99.081 ± 0.001°
γ	90°
Cell volume	1899.99 ± 0.14 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.0767
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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