Information card for entry 7125472

Structure parameters

• Common name: 1',3'-dihydro-1'-(n-propyl)-3',3'dimethyl-6-nitrospiro-[2H-13-benzopyran- 2,2'-(2H)-indoline]
• Formula: C21 H22 N2 O3
• Calculated formula: C21 H22 N2 O3
• Title of publication: Site effects in controlling the chemical reactivity in crystals: solid-state photochromism of N-(n-propyl)nitrospiropyrane.
• Authors of publication: Godsi, O.; Peskin, U.; Kapon, M.; Natan, E.; Eichen, Y.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2132 - 2133
• a: 12.191 ± 0.0005 Å
• b: 12.434 ± 0.0005 Å
• c: 12.916 ± 0.0004 Å
• α: 101.743 ± 0.002°
• β: 104.914 ± 0.002°
• γ: 90.647 ± 0.002°
• Cell volume: 1848.09 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No